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

Systemtic Name: ethyl 1-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C12H18N4O3S MolecularWeight: 298.36132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N4O3S/c1-2-19-11(18)9-3-5-16(6-4-9)10(17)7-20-12-13-8-14-15-12/h8-9H,2-7H2,1H3,(H,13,14,15)