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

Systemtic Name: 4-[[5-(2-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-[[5-(2-methoxyphenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-hydroxy-4-[[[5-(2-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-[[5-(2-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-hydroxy-4-[[[5-(2-methoxyphenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C26H21N3O4S MolecularWeight: 471.52764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)O)C5=CC=CC=C5OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)O)C5=CC=CC=C5OC

InChI

InChI=1S/C26H21N3O4S/c1-16-7-9-18(10-8-16)29-25(21-5-3-4-6-22(21)32-2)27-28-26(29)34-15-17-13-24(31)33-23-14-19(30)11-12-20(17)23/h3-14,30H,15H2,1-2H3