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

Systemtic Name: ethyl 1-[[4-(2,4-dimethylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[4-(2,4-dimethylphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[4-(2,4-dimethylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[4-(2,4-dimethylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[4-(2,4-dimethylphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]isonipecotic acid ethyl ester Formula: C19H26N4O2S MolecularWeight: 374.50034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O2S/c1-4-25-18(24)16-7-9-21(10-8-16)13-23-19(26)22(12-20-23)17-6-5-14(2)11-15(17)3/h5-6,11-12,16H,4,7-10,13H2,1-3H3