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

Systemtic Name: ethyl 4-[3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H27N5O4S MolecularWeight: 433.52448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C20H27N5O4S/c1-3-28-16-7-5-15(6-8-16)18-21-22-19(30)25(18)10-9-17(26)23-11-13-24(14-12-23)20(27)29-4-2/h5-8H,3-4,9-14H2,1-2H3,(H,22,30)