1-(4-ethanoylpiperazin-1-yl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-ethanoylpiperazin-1-yl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-acetylpiperazino)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)N3CCN(CC3)C(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C18H23N5O2S/c1-3-14-4-6-15(7-5-14)17-19-18(21-20-17)26-12-16(25)23-10-8-22(9-11-23)13(2)24/h4-7H,3,8-12H2,1-2H3,(H,19,20,21)