1-[4-(4-methylphenyl)sulfanylpiperidin-1-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-one

Systemtic Name: 1-[4-(4-methylphenyl)sulfanylpiperidin-1-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-one Openeye Name: 3-(5-methyl-1H-1,2,4-triazol-3-yl)-1-[4-(p-tolylsulfanyl)-1-piperidyl]propan-1-one CAS Name: 1-[4-[(4-methylphenyl)thio]-1-piperidinyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)-1-propanone IUPAC Name: 1-[4-(4-methylphenyl)sulfanylpiperidin-1-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-one Traditional Name: 3-(5-methyl-1H-1,2,4-triazol-3-yl)-1-[4-(p-tolylthio)piperidino]propan-1-one Formula: C18H24N4OS MolecularWeight: 344.47436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2CCN(CC2)C(=O)CCC3=NNC(=N3)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2CCN(CC2)C(=O)CCC3=NNC(=N3)C

InChI

InChI=1S/C18H24N4OS/c1-13-3-5-15(6-4-13)24-16-9-11-22(12-10-16)18(23)8-7-17-19-14(2)20-21-17/h3-6,16H,7-12H2,1-2H3,(H,19,20,21)