2-butan-2-ylsulfanyl-5-(trifluoromethyl)benzenecarbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=C(C=C(C=C1)C(F)(F)F)C#N

Isomeric SMILES

CCC(C)SC1=C(C=C(C=C1)C(F)(F)F)C#N

InChI

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