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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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