methyl 4-[[5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-4-prop-2-enyl-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-4-prop-2-enyl-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[4-allyl-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-(6-oxo-1-cyclohexa-2,4-dienylidene)-4-prop-2-enyl-1H-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-prop-2-enyl-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-allyl-5-(6-ketocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NNC(=C3C=CC=CC3=O)N2CC=C

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NNC(=C3C=CC=CC3=O)N2CC=C

InChI

InChI=1S/C20H19N3O3S/c1-3-12-23-18(16-6-4-5-7-17(16)24)21-22-20(23)27-13-14-8-10-15(11-9-14)19(25)26-2/h3-11,21H,1,12-13H2,2H3