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

Systemtic Name: ethyl 1-[2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]piperidine-3-carboxylate CAS Name: 1-[2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]nipecotic acid ethyl ester Formula: C19H24N4O3S MolecularWeight: 388.48386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)C

InChI

InChI=1S/C19H24N4O3S/c1-3-26-18(25)15-5-4-10-22(11-15)16(24)12-23-17(20-21-19(23)27)14-8-6-13(2)7-9-14/h6-9,15H,3-5,10-12H2,1-2H3,(H,21,27)