1-(2,6-dimethylpiperidin-1-yl)-2-[[4-(3-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(2,6-dimethylpiperidin-1-yl)-2-[[4-(3-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[5-benzyl-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,6-dimethyl-1-piperidyl)ethanone CAS Name: 1-(2,6-dimethyl-1-piperidinyl)-2-[[4-(3-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 2-[[5-benzyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,6-dimethylpiperidin-1-yl)ethanone Traditional Name: 2-[[5-benzyl-4-(m-tolyl)-1,2,4-triazol-3-yl]thio]-1-(2,6-dimethylpiperidino)ethanone Formula: C25H30N4OS MolecularWeight: 434.5969

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)CSC2=NN=C(N2C3=CC=CC(=C3)C)CC4=CC=CC=C4)C

Isomeric SMILES

CC1CCCC(N1C(=O)CSC2=NN=C(N2C3=CC=CC(=C3)C)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H30N4OS/c1-18-9-7-14-22(15-18)29-23(16-21-12-5-4-6-13-21)26-27-25(29)31-17-24(30)28-19(2)10-8-11-20(28)3/h4-7,9,12-15,19-20H,8,10-11,16-17H2,1-3H3