(3S)-3-[4-(2-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]piperidin-2-one

Systemtic Name: (3S)-3-[4-(2-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]piperidin-2-one Openeye Name: (3S)-3-[4-(2-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]piperidin-2-one CAS Name: (3S)-3-[4-(2-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-2-piperidinone IUPAC Name: (3S)-3-[4-(2-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]piperidin-2-one Traditional Name: (3S)-3-[4-(2-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]-2-piperidone Formula: C13H13ClN4OS MolecularWeight: 308.78652

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)NC1)C2=NNC(=S)N2C3=CC=CC=C3Cl

Isomeric SMILES

C1C[C@H](C(=O)NC1)C2=NNC(=S)N2C3=CC=CC=C3Cl

InChI

InChI=1S/C13H13ClN4OS/c14-9-5-1-2-6-10(9)18-11(16-17-13(18)20)8-4-3-7-15-12(8)19/h1-2,5-6,8H,3-4,7H2,(H,15,19)(H,17,20)/t8-/m0/s1