ethyl (3S)-1-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[[5-(p-tolyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[[5-(p-tolyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]nipecotic acid ethyl ester Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CN2C(=S)N=C(N2)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CN2C(=S)N=C(N2)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H24N4O2S/c1-3-24-17(23)15-5-4-10-21(11-15)12-22-18(25)19-16(20-22)14-8-6-13(2)7-9-14/h6-9,15H,3-5,10-12H2,1-2H3,(H,19,20,25)/t15-/m0/s1