1-[2-bromanyl-4-[3-(trifluoromethyl)phenyl]sulfanyl-phenyl]cyclopentane-1-carbonitrile

Systemtic Name: 1-[2-bromanyl-4-[3-(trifluoromethyl)phenyl]sulfanyl-phenyl]cyclopentane-1-carbonitrile Openeye Name: 1-[2-bromo-4-[3-(trifluoromethyl)phenyl]sulfanyl-phenyl]cyclopentanecarbonitrile CAS Name: 1-[2-bromo-4-[[3-(trifluoromethyl)phenyl]thio]phenyl]-1-cyclopentanecarbonitrile IUPAC Name: 1-[2-bromo-4-[3-(trifluoromethyl)phenyl]sulfanylphenyl]cyclopentane-1-carbonitrile Traditional Name: 1-[2-bromo-4-[[3-(trifluoromethyl)phenyl]thio]phenyl]cyclopentanecarbonitrile Formula: C19H15BrF3NS MolecularWeight: 426.29331

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)C2=C(C=C(C=C2)SC3=CC=CC(=C3)C(F)(F)F)Br

Isomeric SMILES

C1CCC(C1)(C#N)C2=C(C=C(C=C2)SC3=CC=CC(=C3)C(F)(F)F)Br

InChI

InChI=1S/C19H15BrF3NS/c20-17-11-15(6-7-16(17)18(12-24)8-1-2-9-18)25-14-5-3-4-13(10-14)19(21,22)23/h3-7,10-11H,1-2,8-9H2