U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry MIXED
Molecular Formula C14H15Cl2N3O2
Molecular Weight 328.194
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETACONAZOLE

SMILES

CCC1COC(CN2C=NC=N2)(O1)C3=CC=C(Cl)C=C3Cl

InChI

InChIKey=DWRKFAJEBUWTQM-UHFFFAOYSA-N
InChI=1S/C14H15Cl2N3O2/c1-2-11-6-20-14(21-11,7-19-9-17-8-18-19)12-4-3-10(15)5-13(12)16/h3-5,8-9,11H,2,6-7H2,1H3

HIDE SMILES / InChI

Molecular Formula C14H15Cl2N3O2
Molecular Weight 328.194
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
3MT15AE9VG
Record Status Validated (UNII)
Record Version