3-bromanyl-5-(4-chlorophenyl)-4-(trifluoromethylsulfonyl)-1H-pyrrole-2-carbonitrile

Systemtic Name: 3-bromanyl-5-(4-chlorophenyl)-4-(trifluoromethylsulfonyl)-1H-pyrrole-2-carbonitrile Openeye Name: 3-bromo-5-(4-chlorophenyl)-4-(trifluoromethylsulfonyl)-1H-pyrrole-2-carbonitrile CAS Name: 3-bromo-5-(4-chlorophenyl)-4-(trifluoromethylsulfonyl)-1H-pyrrole-2-carbonitrile IUPAC Name: 3-bromo-5-(4-chlorophenyl)-4-(trifluoromethylsulfonyl)-1H-pyrrole-2-carbonitrile Traditional Name: 3-bromo-5-(4-chlorophenyl)-4-triflyl-1H-pyrrole-2-carbonitrile Formula: C12H5BrClF3N2O2S MolecularWeight: 413.59751

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=C(N2)C#N)Br)S(=O)(=O)C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=C(N2)C#N)Br)S(=O)(=O)C(F)(F)F)Cl

InChI

InChI=1S/C12H5BrClF3N2O2S/c13-9-8(5-18)19-10(6-1-3-7(14)4-2-6)11(9)22(20,21)12(15,16)17/h1-4,19H