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

Systemtic Name: 1-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-4-methylsulfonyl-pyrazole-3-carbonitrile Openeye Name: 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methylsulfonyl-pyrazole-3-carbonitrile CAS Name: 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methylsulfonyl-3-pyrazolecarbonitrile IUPAC Name: 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methylsulfonylpyrazole-3-carbonitrile Traditional Name: 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-mesyl-pyrazole-3-carbonitrile Formula: C12H6Cl2F3N3O2S MolecularWeight: 384.16115

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CN(N=C1C#N)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl

Isomeric SMILES

CS(=O)(=O)C1=CN(N=C1C#N)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl

InChI

InChI=1S/C12H6Cl2F3N3O2S/c1-23(21,22)10-5-20(19-9(10)4-18)11-7(13)2-6(3-8(11)14)12(15,16)17/h2-3,5H,1H3