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

Systemtic Name: ethyl 1-[[4-ethyl-3-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[4-ethyl-3-(o-tolyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[4-ethyl-3-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[4-ethyl-3-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[4-ethyl-3-(o-tolyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]isonipecotic acid ethyl ester Formula: C20H28N4O2S MolecularWeight: 388.52692

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN2CCC(CC2)C(=O)OCC)C3=CC=CC=C3C

Isomeric SMILES

CCN1C(=NN(C1=S)CN2CCC(CC2)C(=O)OCC)C3=CC=CC=C3C

InChI

InChI=1S/C20H28N4O2S/c1-4-23-18(17-9-7-6-8-15(17)3)21-24(20(23)27)14-22-12-10-16(11-13-22)19(25)26-5-2/h6-9,16H,4-5,10-14H2,1-3H3