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

Systemtic Name: 2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone Openeye Name: 1-(4-methyl-1-piperidyl)-2-[[5-(m-tolyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(4-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone Traditional Name: 1-(4-methylpiperidino)-2-[[5-(m-tolyl)-4-phenyl-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(=CC=C4)C

Isomeric SMILES

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

InChI

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