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

Systemtic Name: ethyl 1-[2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]acetyl]isonipecotic acid ethyl ester Formula: C16H26N4O4S MolecularWeight: 370.46704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)N2CCC(CC2)C(=O)OCC

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)N2CCC(CC2)C(=O)OCC

InChI

InChI=1S/C16H26N4O4S/c1-3-5-8-20-15(23)17-18-16(20)25-11-13(21)19-9-6-12(7-10-19)14(22)24-4-2/h12H,3-11H2,1-2H3,(H,17,23)