4-[3,5-bis(fluoranyl)-4-methylsulfonyl-phenyl]-3-(4-bromanyl-3-methyl-phenyl)-5-(fluoranylmethyl)-1,2-oxazole

Systemtic Name: 4-[3,5-bis(fluoranyl)-4-methylsulfonyl-phenyl]-3-(4-bromanyl-3-methyl-phenyl)-5-(fluoranylmethyl)-1,2-oxazole Openeye Name: 3-(4-bromo-3-methyl-phenyl)-4-(3,5-difluoro-4-methylsulfonyl-phenyl)-5-(fluoromethyl)isoxazole CAS Name: 3-(4-bromo-3-methylphenyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-5-(fluoromethyl)isoxazole IUPAC Name: 3-(4-bromo-3-methylphenyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-5-(fluoromethyl)-1,2-oxazole Traditional Name: 3-(4-bromo-3-methyl-phenyl)-4-(3,5-difluoro-4-mesyl-phenyl)-5-(fluoromethyl)isoxazole Formula: C18H13BrF3NO3S MolecularWeight: 460.26493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NOC(=C2C3=CC(=C(C(=C3)F)S(=O)(=O)C)F)CF)Br

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NOC(=C2C3=CC(=C(C(=C3)F)S(=O)(=O)C)F)CF)Br

InChI

InChI=1S/C18H13BrF3NO3S/c1-9-5-10(3-4-12(9)19)17-16(15(8-20)26-23-17)11-6-13(21)18(14(22)7-11)27(2,24)25/h3-7H,8H2,1-2H3