5-azanyl-1-(3-bromophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-(3-bromophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile Openeye Name: 5-amino-1-(3-bromophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile CAS Name: 5-amino-1-(3-bromophenyl)-3-[4-(trifluoromethyl)phenyl]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-(3-bromophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile Traditional Name: 5-amino-1-(3-bromophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile Formula: C17H10BrF3N4 MolecularWeight: 407.18731

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)N2C(=C(C(=N2)C3=CC=C(C=C3)C(F)(F)F)C#N)N

Isomeric SMILES

C1=CC(=CC(=C1)Br)N2C(=C(C(=N2)C3=CC=C(C=C3)C(F)(F)F)C#N)N

InChI

InChI=1S/C17H10BrF3N4/c18-12-2-1-3-13(8-12)25-16(23)14(9-22)15(24-25)10-4-6-11(7-5-10)17(19,20)21/h1-8H,23H2