2-[(4-bromanylpyrazol-1-yl)methylsulfanyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-[(4-bromanylpyrazol-1-yl)methylsulfanyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[(4-bromopyrazol-1-yl)methylsulfanyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[(4-bromo-1-pyrazolyl)methylthio]-4-(4-methoxyphenyl)-6-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[(4-bromopyrazol-1-yl)methylsulfanyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[(4-bromopyrazol-1-yl)methylthio]-4-(4-methoxyphenyl)-6-(trifluoromethyl)nicotinonitrile Formula: C18H12BrF3N4OS MolecularWeight: 469.27829

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCN3C=C(C=N3)Br)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCN3C=C(C=N3)Br)C(F)(F)F

InChI

InChI=1S/C18H12BrF3N4OS/c1-27-13-4-2-11(3-5-13)14-6-16(18(20,21)22)25-17(15(14)7-23)28-10-26-9-12(19)8-24-26/h2-6,8-9H,10H2,1H3