methyl 1-[2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetyl]isonipecotic acid methyl ester Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CSC2=NN(C=N2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CSC2=NN(C=N2)C3=CC=CC=C3

InChI

InChI=1S/C17H20N4O3S/c1-24-16(23)13-7-9-20(10-8-13)15(22)11-25-17-18-12-21(19-17)14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3