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

Systemtic Name: 1-[2,5-bis(fluoranyl)phenyl]-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(2,5-difluorophenyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(2,5-difluorophenyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(2,5-difluorophenyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(2,5-difluorophenyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C18H15F2N3OS MolecularWeight: 359.393006

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)C3=C(C=CC(=C3)F)F

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)C3=C(C=CC(=C3)F)F

InChI

InChI=1S/C18H15F2N3OS/c1-2-11-3-5-12(6-4-11)17-21-18(23-22-17)25-10-16(24)14-9-13(19)7-8-15(14)20/h3-9H,2,10H2,1H3,(H,21,22,23)