6-(4-bromophenyl)-2-[(4-methylphenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-(4-bromophenyl)-2-[(4-methylphenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-(4-bromophenyl)-2-(p-tolylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(4-bromophenyl)-2-[(4-methylphenyl)methylthio]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-(4-bromophenyl)-2-[(4-methylphenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-(4-bromophenyl)-2-[(4-methylbenzyl)thio]-4-(trifluoromethyl)nicotinonitrile Formula: C21H14BrF3N2S MolecularWeight: 463.31347

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)Br)C(F)(F)F)C#N

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)Br)C(F)(F)F)C#N

InChI

InChI=1S/C21H14BrF3N2S/c1-13-2-4-14(5-3-13)12-28-20-17(11-26)18(21(23,24)25)10-19(27-20)15-6-8-16(22)9-7-15/h2-10H,12H2,1H3