1-[4-(4-ethanoylphenyl)piperazin-1-yl]-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-[4-(4-ethanoylphenyl)piperazin-1-yl]-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[4-(4-acetylphenyl)-1-piperazinyl]-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-[4-(4-acetylphenyl)piperazino]-2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C22H25N5O2S2 MolecularWeight: 455.5962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O2S2/c1-3-27-21(19-5-4-14-30-19)23-24-22(27)31-15-20(29)26-12-10-25(11-13-26)18-8-6-17(7-9-18)16(2)28/h4-9,14H,3,10-13,15H2,1-2H3