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

Systemtic Name: methyl 1-[2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]acetyl]isonipecotic acid methyl ester Formula: C14H22N4O4S MolecularWeight: 342.41388

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)N2CCC(CC2)C(=O)OC

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)N2CCC(CC2)C(=O)OC

InChI

InChI=1S/C14H22N4O4S/c1-3-6-18-13(21)15-16-14(18)23-9-11(19)17-7-4-10(5-8-17)12(20)22-2/h10H,3-9H2,1-2H3,(H,15,21)