1-(1-methyl-2-phenyl-indol-3-yl)-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(1-methyl-2-phenyl-indol-3-yl)-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(1-methyl-2-phenyl-indol-3-yl)-2-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-methyl-2-phenyl-3-indolyl)-2-[[4-(2-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1-methyl-2-phenylindol-3-yl)-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(1-methyl-2-phenyl-indol-3-yl)-2-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C31H25N5OS MolecularWeight: 515.6281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)C3=C(N(C4=CC=CC=C43)C)C5=CC=CC=C5)C6=CN=CC=C6

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)C3=C(N(C4=CC=CC=C43)C)C5=CC=CC=C5)C6=CN=CC=C6

InChI

InChI=1S/C31H25N5OS/c1-21-11-6-8-16-25(21)36-30(23-14-10-18-32-19-23)33-34-31(36)38-20-27(37)28-24-15-7-9-17-26(24)35(2)29(28)22-12-4-3-5-13-22/h3-19H,20H2,1-2H3