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

Systemtic Name: ethyl 1-[(4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[4-ethyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[(4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidine-4-carboxylate Traditional Name: 1-[[4-ethyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]isonipecotic acid ethyl ester Formula: C18H25N5O2S MolecularWeight: 375.4884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O2S/c1-3-22-16(14-5-9-19-10-6-14)20-23(18(22)26)13-21-11-7-15(8-12-21)17(24)25-4-2/h5-6,9-10,15H,3-4,7-8,11-13H2,1-2H3