2-(2-methylpropylsulfanyl)-5-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 2-(2-methylpropylsulfanyl)-5-(trifluoromethyl)benzenecarbonitrile Openeye Name: 2-isobutylsulfanyl-5-(trifluoromethyl)benzonitrile CAS Name: 2-(2-methylpropylthio)-5-(trifluoromethyl)benzonitrile IUPAC Name: 2-(2-methylpropylsulfanyl)-5-(trifluoromethyl)benzonitrile Traditional Name: 2-(isobutylthio)-5-(trifluoromethyl)benzonitrile Formula: C12H12F3NS MolecularWeight: 259.29059

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=C(C=C(C=C1)C(F)(F)F)C#N

Isomeric SMILES

CC(C)CSC1=C(C=C(C=C1)C(F)(F)F)C#N

InChI

InChI=1S/C12H12F3NS/c1-8(2)7-17-11-4-3-10(12(13,14)15)5-9(11)6-16/h3-5,8H,7H2,1-2H3