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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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