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

Systemtic Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone Openeye Name: 1-(3-methyl-1-piperidyl)-2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-(3-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone Traditional Name: 1-(3-methylpiperidino)-2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NN=CN2C3=CC=CC=C3C

Isomeric SMILES

CC1CCCN(C1)C(=O)CSC2=NN=CN2C3=CC=CC=C3C

InChI

InChI=1S/C17H22N4OS/c1-13-6-5-9-20(10-13)16(22)11-23-17-19-18-12-21(17)15-8-4-3-7-14(15)2/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3