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

Systemtic Name: methyl 1-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidine-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O2S/c1-22-15(21)13-7-9-18(10-8-13)12-20-16(23)19(11-17-20)14-5-3-2-4-6-14/h2-6,11,13H,7-10,12H2,1H3