1-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone

Systemtic Name: 1-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Openeye Name: 1-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone CAS Name: 1-[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-2-(1H-1,2,4-triazol-5-ylthio)ethanone IUPAC Name: 1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Traditional Name: 1-[4-(4-acetyl-2-fluoro-phenyl)piperazino]-2-(1H-1,2,4-triazol-5-ylthio)ethanone Formula: C16H18FN5O2S MolecularWeight: 363.409823

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CSC3=NC=NN3)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CSC3=NC=NN3)F

InChI

InChI=1S/C16H18FN5O2S/c1-11(23)12-2-3-14(13(17)8-12)21-4-6-22(7-5-21)15(24)9-25-16-18-10-19-20-16/h2-3,8,10H,4-7,9H2,1H3,(H,18,19,20)