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

Systemtic Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone Openeye Name: 1-(4-methyl-1-piperidyl)-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(4-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone Traditional Name: 1-(4-methylpiperidino)-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)C

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)C

InChI

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