3-[[3-bromanyl-4-(trifluoromethyl)phenyl]amino]-5-methyl-1H-pyrazole-4-carbonitrile

Systemtic Name: 3-[[3-bromanyl-4-(trifluoromethyl)phenyl]amino]-5-methyl-1H-pyrazole-4-carbonitrile Openeye Name: 3-[3-bromo-4-(trifluoromethyl)anilino]-5-methyl-1H-pyrazole-4-carbonitrile CAS Name: 3-[3-bromo-4-(trifluoromethyl)anilino]-5-methyl-1H-pyrazole-4-carbonitrile IUPAC Name: 3-[3-bromo-4-(trifluoromethyl)anilino]-5-methyl-1H-pyrazole-4-carbonitrile Traditional Name: 3-[3-bromo-4-(trifluoromethyl)anilino]-5-methyl-1H-pyrazole-4-carbonitrile Formula: C12H8BrF3N4 MolecularWeight: 345.11793

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)NC2=CC(=C(C=C2)C(F)(F)F)Br)C#N

Isomeric SMILES

CC1=C(C(=NN1)NC2=CC(=C(C=C2)C(F)(F)F)Br)C#N

InChI

InChI=1S/C12H8BrF3N4/c1-6-8(5-17)11(20-19-6)18-7-2-3-9(10(13)4-7)12(14,15)16/h2-4H,1H3,(H2,18,19,20)