2-(trifluoromethyl)-4-(2,4,6-trimethylphenyl)sulfanyl-benzenecarbonitrile

Systemtic Name: 2-(trifluoromethyl)-4-(2,4,6-trimethylphenyl)sulfanyl-benzenecarbonitrile Openeye Name: 2-(trifluoromethyl)-4-(2,4,6-trimethylphenyl)sulfanyl-benzonitrile CAS Name: 2-(trifluoromethyl)-4-[(2,4,6-trimethylphenyl)thio]benzonitrile IUPAC Name: 2-(trifluoromethyl)-4-(2,4,6-trimethylphenyl)sulfanylbenzonitrile Traditional Name: 4-(mesitylthio)-2-(trifluoromethyl)benzonitrile Formula: C17H14F3NS MolecularWeight: 321.35997

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C17H14F3NS/c1-10-6-11(2)16(12(3)7-10)22-14-5-4-13(9-21)15(8-14)17(18,19)20/h4-8H,1-3H3