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

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[(4-bromophenyl)methylthio]-6-phenyl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[(4-bromobenzyl)thio]-6-phenyl-4-(trifluoromethyl)nicotinonitrile Formula: C20H12BrF3N2S MolecularWeight: 449.28689

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H12BrF3N2S/c21-15-8-6-13(7-9-15)12-27-19-16(11-25)17(20(22,23)24)10-18(26-19)14-4-2-1-3-5-14/h1-10H,12H2