4-methyl-7-[[4-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methoxy]chromen-2-one

Systemtic Name: 4-methyl-7-[[4-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methoxy]chromen-2-one Openeye Name: 4-methyl-7-[[4-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methoxy]chromen-2-one CAS Name: 4-methyl-7-[[4-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methoxy]-1-benzopyran-2-one IUPAC Name: 4-methyl-7-[[4-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methoxy]chromen-2-one Traditional Name: 4-methyl-7-[[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)C(=CC(=O)O4)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NNC2=S)COC3=CC4=C(C=C3)C(=CC(=O)O4)C

InChI

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