ethyl 1-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]ethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]acetyl]isonipecotic acid ethyl ester Formula: C15H24N4O3S MolecularWeight: 340.44106

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC(=O)N2CCC(CC2)C(=O)OCC

Isomeric SMILES

CCCC1=NC(=NN1)SCC(=O)N2CCC(CC2)C(=O)OCC

InChI

InChI=1S/C15H24N4O3S/c1-3-5-12-16-15(18-17-12)23-10-13(20)19-8-6-11(7-9-19)14(21)22-4-2/h11H,3-10H2,1-2H3,(H,16,17,18)