2-[5-bromanyl-6-oxidanylidene-4-(trifluoromethyl)pyrimidin-1-yl]-3-chloranyl-5-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 2-[5-bromanyl-6-oxidanylidene-4-(trifluoromethyl)pyrimidin-1-yl]-3-chloranyl-5-(trifluoromethyl)benzenecarbonitrile Openeye Name: 2-[5-bromo-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]-3-chloro-5-(trifluoromethyl)benzonitrile CAS Name: 2-[5-bromo-6-oxo-4-(trifluoromethyl)-1-pyrimidinyl]-3-chloro-5-(trifluoromethyl)benzonitrile IUPAC Name: 2-[5-bromo-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]-3-chloro-5-(trifluoromethyl)benzonitrile Traditional Name: 2-[5-bromo-6-keto-4-(trifluoromethyl)pyrimidin-1-yl]-3-chloro-5-(trifluoromethyl)benzonitrile Formula: C13H3BrClF6N3O MolecularWeight: 446.529839

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Cl)N2C=NC(=C(C2=O)Br)C(F)(F)F)C#N)C(F)(F)F

Isomeric SMILES

C1=C(C=C(C(=C1Cl)N2C=NC(=C(C2=O)Br)C(F)(F)F)C#N)C(F)(F)F

InChI

InChI=1S/C13H3BrClF6N3O/c14-8-10(13(19,20)21)23-4-24(11(8)25)9-5(3-22)1-6(2-7(9)15)12(16,17)18/h1-2,4H