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

Systemtic Name: ethyl 4-[3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoylamino]piperidine-1-carboxylate CAS Name: 4-[[3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-oxopropyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoylamino]piperidine-1-carboxylate Traditional Name: 4-[3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)propanoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C21H29N5O4S MolecularWeight: 447.55106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C21H29N5O4S/c1-3-29-17-7-5-15(6-8-17)19-23-24-20(31)26(19)14-11-18(27)22-16-9-12-25(13-10-16)21(28)30-4-2/h5-8,16H,3-4,9-14H2,1-2H3,(H,22,27)(H,24,31)