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

Systemtic Name: ethyl 1-[2-(1H-1,2,4-triazol-5-ylsulfanyl)propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(1H-1,2,4-triazol-5-ylsulfanyl)propanoyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)propyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(1H-1,2,4-triazol-5-ylsulfanyl)propanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-(1H-1,2,4-triazol-5-ylthio)propanoyl]isonipecotic acid ethyl ester Formula: C13H20N4O3S MolecularWeight: 312.3879

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC=NN2

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC=NN2

InChI

InChI=1S/C13H20N4O3S/c1-3-20-12(19)10-4-6-17(7-5-10)11(18)9(2)21-13-14-8-15-16-13/h8-10H,3-7H2,1-2H3,(H,14,15,16)