5-azanyl-1-[2-bromanyl-6-chloranyl-4-(trifluoromethyl)phenyl]-4-methylsulfonyl-pyrazole-3-carbonitrile

Systemtic Name: 5-azanyl-1-[2-bromanyl-6-chloranyl-4-(trifluoromethyl)phenyl]-4-methylsulfonyl-pyrazole-3-carbonitrile Openeye Name: 5-amino-1-[2-bromo-6-chloro-4-(trifluoromethyl)phenyl]-4-methylsulfonyl-pyrazole-3-carbonitrile CAS Name: 5-amino-1-[2-bromo-6-chloro-4-(trifluoromethyl)phenyl]-4-methylsulfonyl-3-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[2-bromo-6-chloro-4-(trifluoromethyl)phenyl]-4-methylsulfonylpyrazole-3-carbonitrile Traditional Name: 5-amino-1-[2-bromo-6-chloro-4-(trifluoromethyl)phenyl]-4-mesyl-pyrazole-3-carbonitrile Formula: C12H7BrClF3N4O2S MolecularWeight: 443.62679

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(N(N=C1C#N)C2=C(C=C(C=C2Br)C(F)(F)F)Cl)N

Isomeric SMILES

CS(=O)(=O)C1=C(N(N=C1C#N)C2=C(C=C(C=C2Br)C(F)(F)F)Cl)N

InChI

InChI=1S/C12H7BrClF3N4O2S/c1-24(22,23)10-8(4-18)20-21(11(10)19)9-6(13)2-5(3-7(9)14)12(15,16)17/h2-3H,19H2,1H3