Identitāte

Tioconazole

Nav norādīts · C16H13Cl3N2OS

01Identitāte

Lazychem IDLC-54497
CAS RNNav norādīts
PubChem CID5482
Molecular formulaC16H13Cl3N2OS
Molecular weight387.7 g/mol
IUPAC name1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
InChIKeyQXHHHPZILQDDPS-UHFFFAOYSA-N

02Struktūra un stereoķīmija

2D structurePubChem CID 5482
Two-dimensional chemical structure of Tioconazole
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres0
Ring count3
Secondary amines0
Tertiary amines0
SMILESC1=CC(=C(C=C1Cl)Cl)C(CN2C=CN=C2)OCC3=C(SC=C3)Cl
InChINav norādīts

03Stereochemistry

The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres1Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Statuss Indijā

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Nosaukumi un saistības

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