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

Systemtic Name: 1-[(3S)-3-methylpiperidin-1-yl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[(3S)-3-methyl-1-piperidyl]ethanone CAS Name: 1-[(3S)-3-methyl-1-piperidinyl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[(3S)-3-methylpiperidin-1-yl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]-1-[(3S)-3-methylpiperidino]ethanone Formula: C13H22N4OS MolecularWeight: 282.40498

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NNC(=N2)C(C)C

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)CSC2=NNC(=N2)C(C)C

InChI

InChI=1S/C13H22N4OS/c1-9(2)12-14-13(16-15-12)19-8-11(18)17-6-4-5-10(3)7-17/h9-10H,4-8H2,1-3H3,(H,14,15,16)/t10-/m0/s1