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

Systemtic Name: 5-(4-chlorophenyl)-4-(trifluoromethylsulfonyl)-1H-pyrrole-2-carbonitrile Openeye Name: 5-(4-chlorophenyl)-4-(trifluoromethylsulfonyl)-1H-pyrrole-2-carbonitrile CAS Name: 5-(4-chlorophenyl)-4-(trifluoromethylsulfonyl)-1H-pyrrole-2-carbonitrile IUPAC Name: 5-(4-chlorophenyl)-4-(trifluoromethylsulfonyl)-1H-pyrrole-2-carbonitrile Traditional Name: 5-(4-chlorophenyl)-4-triflyl-1H-pyrrole-2-carbonitrile Formula: C12H6ClF3N2O2S MolecularWeight: 334.70145

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H6ClF3N2O2S/c13-8-3-1-7(2-4-8)11-10(5-9(6-17)18-11)21(19,20)12(14,15)16/h1-5,18H