6-(4-bromophenyl)-2-(phenylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-(4-bromophenyl)-2-(phenylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-benzylsulfanyl-6-(4-bromophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(4-bromophenyl)-2-(phenylmethylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-benzylsulfanyl-6-(4-bromophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-(benzylthio)-6-(4-bromophenyl)-4-(trifluoromethyl)nicotinonitrile Formula: C20H12BrF3N2S MolecularWeight: 449.28689

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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

Isomeric SMILES

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

InChI

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