1-(4-bromanyl-2,6-dimethyl-phenyl)-4-(trifluoromethylsulfinyl)pyrrole-3-carbonitrile

Systemtic Name: 1-(4-bromanyl-2,6-dimethyl-phenyl)-4-(trifluoromethylsulfinyl)pyrrole-3-carbonitrile Openeye Name: 1-(4-bromo-2,6-dimethyl-phenyl)-4-(trifluoromethylsulfinyl)pyrrole-3-carbonitrile CAS Name: 1-(4-bromo-2,6-dimethylphenyl)-4-(trifluoromethylsulfinyl)-3-pyrrolecarbonitrile IUPAC Name: 1-(4-bromo-2,6-dimethylphenyl)-4-(trifluoromethylsulfinyl)pyrrole-3-carbonitrile Traditional Name: 1-(4-bromo-2,6-dimethyl-phenyl)-4-(trifluoromethylsulfinyl)pyrrole-3-carbonitrile Formula: C14H10BrF3N2OS MolecularWeight: 391.20621

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N2C=C(C(=C2)S(=O)C(F)(F)F)C#N)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1N2C=C(C(=C2)S(=O)C(F)(F)F)C#N)C)Br

InChI

InChI=1S/C14H10BrF3N2OS/c1-8-3-11(15)4-9(2)13(8)20-6-10(5-19)12(7-20)22(21)14(16,17)18/h3-4,6-7H,1-2H3