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

Systemtic Name: ethyl 1-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperidine-4-carboxylate CAS Name: 1-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidine-4-carboxylate Traditional Name: 1-[(4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]isonipecotic acid ethyl ester Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O2S/c1-2-23-16(22)14-8-10-19(11-9-14)13-21-17(24)20(12-18-21)15-6-4-3-5-7-15/h3-7,12,14H,2,8-11,13H2,1H3