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

Systemtic Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone Openeye Name: 1-(2-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-(2-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone Traditional Name: 1-(2-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:

CC1CCCCN1C(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)C

Isomeric SMILES

CC1CCCCN1C(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)C

InChI

InChI=1S/C17H22N4OS/c1-12-6-8-14(9-7-12)16-18-17(20-19-16)23-11-15(22)21-10-4-3-5-13(21)2/h6-9,13H,3-5,10-11H2,1-2H3,(H,18,19,20)