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

Systemtic Name: ethyl (3S)-1-[[3-methyl-4-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[[3-methyl-4-(o-tolyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[3-methyl-4-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[3-methyl-4-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[[3-methyl-4-(o-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)C)C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CN2C(=S)N(C(=N2)C)C3=CC=CC=C3C

InChI

InChI=1S/C19H26N4O2S/c1-4-25-18(24)16-9-7-11-21(12-16)13-22-19(26)23(15(3)20-22)17-10-6-5-8-14(17)2/h5-6,8,10,16H,4,7,9,11-13H2,1-3H3/t16-/m0/s1