6-(4-bromophenyl)-2-prop-2-enylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-(4-bromophenyl)-2-prop-2-enylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-allylsulfanyl-6-(4-bromophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(4-bromophenyl)-2-(prop-2-enylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-(4-bromophenyl)-2-prop-2-enylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-(allylthio)-6-(4-bromophenyl)-4-(trifluoromethyl)nicotinonitrile Formula: C16H10BrF3N2S MolecularWeight: 399.22821

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=C(C(=CC(=N1)C2=CC=C(C=C2)Br)C(F)(F)F)C#N

Isomeric SMILES

C=CCSC1=C(C(=CC(=N1)C2=CC=C(C=C2)Br)C(F)(F)F)C#N

InChI

InChI=1S/C16H10BrF3N2S/c1-2-7-23-15-12(9-21)13(16(18,19)20)8-14(22-15)10-3-5-11(17)6-4-10/h2-6,8H,1,7H2