5-azanyl-1-[2-chloranyl-4-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-[2-chloranyl-4-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile CAS Name: 5-amino-1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(trifluoromethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile Traditional Name: 5-amino-1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile Formula: C12H5ClF6N4 MolecularWeight: 354.638319

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)Cl)N2C(=C(C(=N2)C(F)(F)F)C#N)N

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)Cl)N2C(=C(C(=N2)C(F)(F)F)C#N)N

InChI

InChI=1S/C12H5ClF6N4/c13-7-3-5(11(14,15)16)1-2-8(7)23-10(21)6(4-20)9(22-23)12(17,18)19/h1-3H,21H2