1-(4-methylpiperidin-1-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C)SC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC1CCN(CC1)C(=O)C(C)SC2=NNC(=N2)C3=CC=CC=C3

InChI

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