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

Systemtic Name: ethyl 1-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]propyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]propanoyl]isonipecotic acid ethyl ester Formula: C16H26N4O3S MolecularWeight: 354.46764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N4O3S/c1-4-6-13-17-16(19-18-13)24-11(3)14(21)20-9-7-12(8-10-20)15(22)23-5-2/h11-12H,4-10H2,1-3H3,(H,17,18,19)