2-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

Systemtic Name: 2-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Openeye Name: 2-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone CAS Name: 2-[(4-bromo-2-fluorophenyl)methylthio]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 2-[(4-bromo-2-fluoro-benzyl)thio]-1-(3-phenyl-2-pyrazolin-1-yl)ethanone Formula: C18H16BrFN2OS MolecularWeight: 407.299843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)CSCC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)CSCC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C18H16BrFN2OS/c19-15-7-6-14(16(20)10-15)11-24-12-18(23)22-9-8-17(21-22)13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2