N-[4-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxidanylidene-chromen-7-yl]ethanamide

Systemtic Name: N-[4-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxidanylidene-chromen-7-yl]ethanamide Openeye Name: N-[2-oxo-4-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-7-yl]acetamide CAS Name: N-[4-[[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-2-oxo-1-benzopyran-7-yl]acetamide IUPAC Name: N-[4-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxochromen-7-yl]acetamide Traditional Name: N-[2-keto-4-[[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]chromen-7-yl]acetamide Formula: C27H22N4O3S MolecularWeight: 482.55358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22N4O3S/c1-17-8-11-22(12-9-17)31-26(19-6-4-3-5-7-19)29-30-27(31)35-16-20-14-25(33)34-24-15-21(28-18(2)32)10-13-23(20)24/h3-15H,16H2,1-2H3,(H,28,32)