propan-2-yl 2-[[4-methyl-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: propan-2-yl 2-[[4-methyl-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: isopropyl 2-[[4-methyl-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-methyl-5-(4-oxo-1-cyclohexa-2,5-dienylidene)-1H-1,2,4-triazol-3-yl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[4-methyl-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-ketocyclohexa-2,5-dien-1-ylidene)-4-methyl-1H-1,2,4-triazol-3-yl]thio]acetic acid isopropyl ester Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSC1=NNC(=C2C=CC(=O)C=C2)N1C

Isomeric SMILES

CC(C)OC(=O)CSC1=NNC(=C2C=CC(=O)C=C2)N1C

InChI

InChI=1S/C14H17N3O3S/c1-9(2)20-12(19)8-21-14-16-15-13(17(14)3)10-4-6-11(18)7-5-10/h4-7,9,15H,8H2,1-3H3