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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1CC(=O)N2CCCC(C2)C(=O)OCC

Isomeric SMILES

CCCC1=NNC(=S)N1CC(=O)N2CCCC(C2)C(=O)OCC

InChI

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