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

Systemtic Name: 7-methoxy-4-[[5-(3-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7-methoxy-4-[[5-(3-methoxyphenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-methoxy-4-[[[5-(3-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[[5-(3-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-methoxy-4-[[[5-(3-methoxyphenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C27H23N3O4S MolecularWeight: 485.55422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H23N3O4S/c1-17-7-9-20(10-8-17)30-26(18-5-4-6-21(13-18)32-2)28-29-27(30)35-16-19-14-25(31)34-24-15-22(33-3)11-12-23(19)24/h4-15H,16H2,1-3H3