[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C22H25N5O3S2 MolecularWeight: 471.5956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C22H25N5O3S2/c1-2-27-21(18-9-6-14-31-18)23-24-22(27)32-16-20(29)30-15-19(28)26-12-10-25(11-13-26)17-7-4-3-5-8-17/h3-9,14H,2,10-13,15-16H2,1H3