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

Systemtic Name: ethyl 1-[[3-(4-chlorophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[3-(4-chlorophenyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[3-(4-chlorophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(4-chlorophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[3-(4-chlorophenyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]isonipecotic acid ethyl ester Formula: C23H25ClN4O2S MolecularWeight: 456.9882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C23H25ClN4O2S/c1-2-30-22(29)18-12-14-26(15-13-18)16-27-23(31)28(20-6-4-3-5-7-20)21(25-27)17-8-10-19(24)11-9-17/h3-11,18H,2,12-16H2,1H3