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

Systemtic Name: 2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone Openeye Name: 1-(2-methyl-1-piperidyl)-2-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-(2-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone Traditional Name: 1-(2-methylpiperidino)-2-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C23H26N4OS MolecularWeight: 406.54374

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)C)C4=CC=CC=C4

Isomeric SMILES

CC1CCCCN1C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4OS/c1-17-11-13-20(14-12-17)27-22(19-9-4-3-5-10-19)24-25-23(27)29-16-21(28)26-15-7-6-8-18(26)2/h3-5,9-14,18H,6-8,15-16H2,1-2H3