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

Systemtic Name: (2S)-1-(4-methylpiperidin-1-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: (2S)-1-(4-methyl-1-piperidyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: (2S)-1-(4-methyl-1-piperidinyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: (2S)-1-(4-methylpiperidin-1-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: (2S)-1-(4-methylpiperidino)-2-[(1-phenyl-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=NN(C=N2)C3=CC=CC=C3

Isomeric SMILES

CC1CCN(CC1)C(=O)[C@H](C)SC2=NN(C=N2)C3=CC=CC=C3

InChI

InChI=1S/C17H22N4OS/c1-13-8-10-20(11-9-13)16(22)14(2)23-17-18-12-21(19-17)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3/t14-/m0/s1