4-butylsulfanyl-2-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 4-butylsulfanyl-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-butylsulfanyl-2-(trifluoromethyl)benzonitrile CAS Name: 4-(butylthio)-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-butylsulfanyl-2-(trifluoromethyl)benzonitrile Traditional Name: 4-(butylthio)-2-(trifluoromethyl)benzonitrile Formula: C12H12F3NS MolecularWeight: 259.29059

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC(=C(C=C1)C#N)C(F)(F)F

Isomeric SMILES

CCCCSC1=CC(=C(C=C1)C#N)C(F)(F)F

InChI

InChI=1S/C12H12F3NS/c1-2-3-6-17-10-5-4-9(8-16)11(7-10)12(13,14)15/h4-5,7H,2-3,6H2,1H3