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

Systemtic Name: ethyl 1-[3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoyl]piperidine-4-carboxylate Traditional Name: 1-[3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoyl]isonipecotic acid ethyl ester Formula: C17H22N4O3S2 MolecularWeight: 394.51158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CCN2C(=NNC2=S)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CCN2C(=NNC2=S)C3=CC=CS3

InChI

InChI=1S/C17H22N4O3S2/c1-2-24-16(23)12-5-8-20(9-6-12)14(22)7-10-21-15(18-19-17(21)25)13-4-3-11-26-13/h3-4,11-12H,2,5-10H2,1H3,(H,19,25)