2-butylsulfanyl-5-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 2-butylsulfanyl-5-(trifluoromethyl)benzenecarbonitrile Openeye Name: 2-butylsulfanyl-5-(trifluoromethyl)benzonitrile CAS Name: 2-(butylthio)-5-(trifluoromethyl)benzonitrile IUPAC Name: 2-butylsulfanyl-5-(trifluoromethyl)benzonitrile Traditional Name: 2-(butylthio)-5-(trifluoromethyl)benzonitrile Formula: C12H12F3NS MolecularWeight: 259.29059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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