2-[2-bromanyl-4-[3-(trifluoromethyl)phenyl]sulfanyl-phenyl]-2-methyl-propanenitrile

Systemtic Name: 2-[2-bromanyl-4-[3-(trifluoromethyl)phenyl]sulfanyl-phenyl]-2-methyl-propanenitrile Openeye Name: 2-[2-bromo-4-[3-(trifluoromethyl)phenyl]sulfanyl-phenyl]-2-methyl-propanenitrile CAS Name: 2-[2-bromo-4-[[3-(trifluoromethyl)phenyl]thio]phenyl]-2-methylpropanenitrile IUPAC Name: 2-[2-bromo-4-[3-(trifluoromethyl)phenyl]sulfanylphenyl]-2-methylpropanenitrile Traditional Name: 2-[2-bromo-4-[[3-(trifluoromethyl)phenyl]thio]phenyl]-2-methyl-propionitrile Formula: C17H13BrF3NS MolecularWeight: 400.25603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C1=C(C=C(C=C1)SC2=CC=CC(=C2)C(F)(F)F)Br

Isomeric SMILES

CC(C)(C#N)C1=C(C=C(C=C1)SC2=CC=CC(=C2)C(F)(F)F)Br

InChI

InChI=1S/C17H13BrF3NS/c1-16(2,10-22)14-7-6-13(9-15(14)18)23-12-5-3-4-11(8-12)17(19,20)21/h3-9H,1-2H3