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

Systemtic Name: (2R)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-piperidin-1-yl-propan-1-one Openeye Name: (2R)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1-piperidyl)propan-1-one CAS Name: (2R)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-1-(1-piperidinyl)-1-propanone IUPAC Name: (2R)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one Traditional Name: (2R)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-1-piperidino-propan-1-one Formula: C16H20N4OS MolecularWeight: 316.4212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCC1)SC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)N1CCCCC1)SC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C16H20N4OS/c1-12(15(21)20-10-6-3-7-11-20)22-16-17-14(18-19-16)13-8-4-2-5-9-13/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H,17,18,19)/t12-/m1/s1