4-methyl-6-[[4-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methoxy]chromen-2-one

Systemtic Name: 4-methyl-6-[[4-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methoxy]chromen-2-one Openeye Name: 4-methyl-6-[[4-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methoxy]chromen-2-one CAS Name: 4-methyl-6-[[4-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methoxy]-1-benzopyran-2-one IUPAC Name: 4-methyl-6-[[4-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methoxy]chromen-2-one Traditional Name: 4-methyl-6-[[4-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methoxy]coumarin Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NNC2=S)COC3=CC4=C(C=C3)OC(=O)C=C4C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NNC2=S)COC3=CC4=C(C=C3)OC(=O)C=C4C

InChI

InChI=1S/C20H17N3O3S/c1-12-3-5-14(6-4-12)23-18(21-22-20(23)27)11-25-15-7-8-17-16(10-15)13(2)9-19(24)26-17/h3-10H,11H2,1-2H3,(H,22,27)