5-azanyl-1-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-4-methyl-pyrazole-3-carbonitrile

Systemtic Name: 5-azanyl-1-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-4-methyl-pyrazole-3-carbonitrile Openeye Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methyl-pyrazole-3-carbonitrile CAS Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methyl-3-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methylpyrazole-3-carbonitrile Traditional Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methyl-pyrazole-3-carbonitrile Formula: C12H7Cl2F3N4 MolecularWeight: 335.11199

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C#N)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)N

Isomeric SMILES

CC1=C(N(N=C1C#N)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)N

InChI

InChI=1S/C12H7Cl2F3N4/c1-5-9(4-18)20-21(11(5)19)10-7(13)2-6(3-8(10)14)12(15,16)17/h2-3H,19H2,1H3