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

Systemtic Name: 7-[[4-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methoxy]-4-methyl-chromen-2-one Openeye Name: 7-[[4-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methoxy]-4-methyl-chromen-2-one CAS Name: 7-[[4-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methoxy]-4-methyl-1-benzopyran-2-one IUPAC Name: 7-[[4-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methoxy]-4-methylchromen-2-one Traditional Name: 7-[[4-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methoxy]-4-methyl-coumarin Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=NNC(=S)N3C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=NNC(=S)N3C4=CC=C(C=C4)OC

InChI

InChI=1S/C20H17N3O4S/c1-12-9-19(24)27-17-10-15(7-8-16(12)17)26-11-18-21-22-20(28)23(18)13-3-5-14(25-2)6-4-13/h3-10H,11H2,1-2H3,(H,22,28)