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

Systemtic Name: (3S)-3-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]piperidin-2-one Openeye Name: (3S)-3-(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)piperidin-2-one CAS Name: (3S)-3-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-2-piperidinone IUPAC Name: (3S)-3-(4-benzyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)piperidin-2-one Traditional Name: (3S)-3-(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)-2-piperidone Formula: C14H16N4OS MolecularWeight: 288.36804

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)NC1)C2=NNC(=S)N2CC3=CC=CC=C3

Isomeric SMILES

C1C[C@H](C(=O)NC1)C2=NNC(=S)N2CC3=CC=CC=C3

InChI

InChI=1S/C14H16N4OS/c19-13-11(7-4-8-15-13)12-16-17-14(20)18(12)9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,15,19)(H,17,20)/t11-/m0/s1