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

Systemtic Name: ethyl 4-[3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoylamino]piperidine-1-carboxylate CAS Name: 4-[[1-oxo-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoylamino]piperidine-1-carboxylate Traditional Name: 4-[3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C17H23N5O3S2 MolecularWeight: 409.52622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CCN2C(=NNC2=S)C3=CC=CS3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CCN2C(=NNC2=S)C3=CC=CS3

InChI

InChI=1S/C17H23N5O3S2/c1-2-25-17(24)21-8-5-12(6-9-21)18-14(23)7-10-22-15(19-20-16(22)26)13-4-3-11-27-13/h3-4,11-12H,2,5-10H2,1H3,(H,18,23)(H,20,26)