1-(4-ethanoylpiperazin-1-yl)-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-ethanoylpiperazin-1-yl)-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[[4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-acetylpiperazino)-2-[[4-phenethyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C23H27N5O2S2 MolecularWeight: 469.62278

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C23H27N5O2S2/c1-18(29)26-11-13-27(14-12-26)22(30)17-32-23-25-24-21(16-20-8-5-15-31-20)28(23)10-9-19-6-3-2-4-7-19/h2-8,15H,9-14,16-17H2,1H3