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

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

CC1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)C

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)C

InChI

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