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

Systemtic Name: (3S)-3-[4-(3-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]piperidin-2-one Openeye Name: (3S)-3-[4-(3-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]piperidin-2-one CAS Name: (3S)-3-[4-(3-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-2-piperidinone IUPAC Name: (3S)-3-[4-(3-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]piperidin-2-one Traditional Name: (3S)-3-[4-(3-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]-2-piperidone Formula: C14H16N4O2S MolecularWeight: 304.36744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=NNC2=S)C3CCCNC3=O

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=NNC2=S)[C@@H]3CCCNC3=O

InChI

InChI=1S/C14H16N4O2S/c1-20-10-5-2-4-9(8-10)18-12(16-17-14(18)21)11-6-3-7-15-13(11)19/h2,4-5,8,11H,3,6-7H2,1H3,(H,15,19)(H,17,21)/t11-/m0/s1