8-methyl-4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 8-methyl-4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-8-methyl-4-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-hydroxy-8-methyl-4-[[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-methyl-4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-hydroxy-8-methyl-4-[[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C20H17N3O3S MolecularWeight: 379.43228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=O)OC4=C3C=CC(=C4C)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=O)OC4=C3C=CC(=C4C)O

InChI

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