4,8-dimethyl-7-[[4-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methoxy]chromen-2-one

Systemtic Name: 4,8-dimethyl-7-[[4-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methoxy]chromen-2-one Openeye Name: 4,8-dimethyl-7-[[4-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methoxy]chromen-2-one CAS Name: 4,8-dimethyl-7-[[4-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methoxy]-1-benzopyran-2-one IUPAC Name: 4,8-dimethyl-7-[[4-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methoxy]chromen-2-one Traditional Name: 4,8-dimethyl-7-[[4-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methoxy]coumarin Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NNC2=S)COC3=C(C4=C(C=C3)C(=CC(=O)O4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NNC2=S)COC3=C(C4=C(C=C3)C(=CC(=O)O4)C)C

InChI

InChI=1S/C21H19N3O3S/c1-12-4-6-15(7-5-12)24-18(22-23-21(24)28)11-26-17-9-8-16-13(2)10-19(25)27-20(16)14(17)3/h4-10H,11H2,1-3H3,(H,23,28)