methyl 2-[[5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-4-phenethyl-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-4-phenethyl-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenethyl-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(6-oxo-1-cyclohexa-2,4-dienylidene)-4-phenethyl-1H-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenethyl-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(6-ketocyclohexa-2,4-dien-1-ylidene)-4-phenethyl-1H-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NNC(=C2C=CC=CC2=O)N1CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)CSC1=NNC(=C2C=CC=CC2=O)N1CCC3=CC=CC=C3

InChI

InChI=1S/C19H19N3O3S/c1-25-17(24)13-26-19-21-20-18(15-9-5-6-10-16(15)23)22(19)12-11-14-7-3-2-4-8-14/h2-10,20H,11-13H2,1H3