2-(2,4-dimethylphenyl)sulfanyl-5-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 2-(2,4-dimethylphenyl)sulfanyl-5-(trifluoromethyl)benzenecarbonitrile Openeye Name: 2-(2,4-dimethylphenyl)sulfanyl-5-(trifluoromethyl)benzonitrile CAS Name: 2-[(2,4-dimethylphenyl)thio]-5-(trifluoromethyl)benzonitrile IUPAC Name: 2-(2,4-dimethylphenyl)sulfanyl-5-(trifluoromethyl)benzonitrile Traditional Name: 2-[(2,4-dimethylphenyl)thio]-5-(trifluoromethyl)benzonitrile Formula: C16H12F3NS MolecularWeight: 307.33339

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SC2=C(C=C(C=C2)C(F)(F)F)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)SC2=C(C=C(C=C2)C(F)(F)F)C#N)C

InChI

InChI=1S/C16H12F3NS/c1-10-3-5-14(11(2)7-10)21-15-6-4-13(16(17,18)19)8-12(15)9-20/h3-8H,1-2H3