1-[4-bromanyl-2,6-bis(chloranyl)phenyl]-4-(trifluoromethylsulfonyl)pyrrole-3-carbonitrile

Systemtic Name: 1-[4-bromanyl-2,6-bis(chloranyl)phenyl]-4-(trifluoromethylsulfonyl)pyrrole-3-carbonitrile Openeye Name: 1-(4-bromo-2,6-dichloro-phenyl)-4-(trifluoromethylsulfonyl)pyrrole-3-carbonitrile CAS Name: 1-(4-bromo-2,6-dichlorophenyl)-4-(trifluoromethylsulfonyl)-3-pyrrolecarbonitrile IUPAC Name: 1-(4-bromo-2,6-dichlorophenyl)-4-(trifluoromethylsulfonyl)pyrrole-3-carbonitrile Traditional Name: 1-(4-bromo-2,6-dichloro-phenyl)-4-triflyl-pyrrole-3-carbonitrile Formula: C12H4BrCl2F3N2O2S MolecularWeight: 448.04257

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Cl)N2C=C(C(=C2)S(=O)(=O)C(F)(F)F)C#N)Cl)Br

Isomeric SMILES

C1=C(C=C(C(=C1Cl)N2C=C(C(=C2)S(=O)(=O)C(F)(F)F)C#N)Cl)Br

InChI

InChI=1S/C12H4BrCl2F3N2O2S/c13-7-1-8(14)11(9(15)2-7)20-4-6(3-19)10(5-20)23(21,22)12(16,17)18/h1-2,4-5H