4-(3,4-dimethylphenyl)sulfanyl-2-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 4-(3,4-dimethylphenyl)sulfanyl-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-(3,4-dimethylphenyl)sulfanyl-2-(trifluoromethyl)benzonitrile CAS Name: 4-[(3,4-dimethylphenyl)thio]-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-(3,4-dimethylphenyl)sulfanyl-2-(trifluoromethyl)benzonitrile Traditional Name: 4-[(3,4-dimethylphenyl)thio]-2-(trifluoromethyl)benzonitrile Formula: C16H12F3NS MolecularWeight: 307.33339

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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