methyl 1-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(1H-1,2,4-triazol-5-ylthio)acetyl]isonipecotic acid methyl ester Formula: C11H16N4O3S MolecularWeight: 284.33474

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CSC2=NC=NN2

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CSC2=NC=NN2

InChI

InChI=1S/C11H16N4O3S/c1-18-10(17)8-2-4-15(5-3-8)9(16)6-19-11-12-7-13-14-11/h7-8H,2-6H2,1H3,(H,12,13,14)