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

Systemtic Name: methyl 1-[[3-(4-chlorophenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate Openeye Name: methyl 1-[[3-(4-chlorophenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[3-(4-chlorophenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[[3-(4-chlorophenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[3-(4-chlorophenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]isonipecotic acid methyl ester Formula: C17H21ClN4O2S MolecularWeight: 380.89224

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN2CCC(CC2)C(=O)OC)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C(=NN(C1=S)CN2CCC(CC2)C(=O)OC)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H21ClN4O2S/c1-20-15(12-3-5-14(18)6-4-12)19-22(17(20)25)11-21-9-7-13(8-10-21)16(23)24-2/h3-6,13H,7-11H2,1-2H3