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

Systemtic Name: ethyl 1-[[3-(4-chlorophenyl)-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[3-(4-chlorophenyl)-4-ethyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[3-(4-chlorophenyl)-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(4-chlorophenyl)-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[3-(4-chlorophenyl)-4-ethyl-5-thioxo-1,2,4-triazol-1-yl]methyl]isonipecotic acid ethyl ester Formula: C19H25ClN4O2S MolecularWeight: 408.9454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25ClN4O2S/c1-3-23-17(14-5-7-16(20)8-6-14)21-24(19(23)27)13-22-11-9-15(10-12-22)18(25)26-4-2/h5-8,15H,3-4,9-13H2,1-2H3