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

Systemtic Name: 4-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-hydroxy-8-methyl-chromen-2-one CAS Name: 4-[[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-hydroxy-8-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-hydroxy-8-methylchromen-2-one Traditional Name: 4-[[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]-7-hydroxy-8-methyl-coumarin Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC(=O)OC4=C3C=CC(=C4C)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC(=O)OC4=C3C=CC(=C4C)O

InChI

InChI=1S/C20H18N4O3S/c1-11-3-5-13(6-4-11)19-22-23-20(24(19)21)28-10-14-9-17(26)27-18-12(2)16(25)8-7-15(14)18/h3-9,25H,10,21H2,1-2H3