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

Systemtic Name: 6-(4-bromophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-(4-bromophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(4-bromophenyl)-2-[(4-fluorophenyl)methylthio]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-(4-bromophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-(4-bromophenyl)-2-[(4-fluorobenzyl)thio]-4-(trifluoromethyl)nicotinonitrile Formula: C20H11BrF4N2S MolecularWeight: 467.277353

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)Br)C(F)(F)F)C#N)F

Isomeric SMILES

C1=CC(=CC=C1CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)Br)C(F)(F)F)C#N)F

InChI

InChI=1S/C20H11BrF4N2S/c21-14-5-3-13(4-6-14)18-9-17(20(23,24)25)16(10-26)19(27-18)28-11-12-1-7-15(22)8-2-12/h1-9H,11H2