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

Systemtic Name: ethyl 1-[3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoyl]piperidine-4-carboxylate CAS Name: 1-[3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoyl]piperidine-4-carboxylate Traditional Name: 1-[3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)propanoyl]isonipecotic acid ethyl ester Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C21H28N4O4S/c1-3-28-17-7-5-15(6-8-17)19-22-23-21(30)25(19)14-11-18(26)24-12-9-16(10-13-24)20(27)29-4-2/h5-8,16H,3-4,9-14H2,1-2H3,(H,23,30)