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

Systemtic Name: ethyl (3S)-1-[[4-methyl-3-(4-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[[4-methyl-3-(p-tolyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[4-methyl-3-(4-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[4-methyl-3-(4-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[[4-methyl-3-(p-tolyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]nipecotic acid ethyl ester Formula: C19H26N4O2S MolecularWeight: 374.50034

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O2S/c1-4-25-18(24)16-6-5-11-22(12-16)13-23-19(26)21(3)17(20-23)15-9-7-14(2)8-10-15/h7-10,16H,4-6,11-13H2,1-3H3/t16-/m0/s1