2-[[3-(benzotriazol-2-yl)-4-ethoxy-phenyl]methylsulfanyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-[[3-(benzotriazol-2-yl)-4-ethoxy-phenyl]methylsulfanyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[[3-(benzotriazol-2-yl)-4-ethoxy-phenyl]methylsulfanyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[[3-(2-benzotriazolyl)-4-ethoxyphenyl]methylthio]-6-phenyl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[[3-(benzotriazol-2-yl)-4-ethoxyphenyl]methylsulfanyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[[3-(benzotriazol-2-yl)-4-ethoxy-benzyl]thio]-6-phenyl-4-(trifluoromethyl)nicotinonitrile Formula: C28H20F3N5OS MolecularWeight: 531.55151

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C(F)(F)F)C#N)N4N=C5C=CC=CC5=N4

Isomeric SMILES

CCOC1=C(C=C(C=C1)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C(F)(F)F)C#N)N4N=C5C=CC=CC5=N4

InChI

InChI=1S/C28H20F3N5OS/c1-2-37-26-13-12-18(14-25(26)36-34-22-10-6-7-11-23(22)35-36)17-38-27-20(16-32)21(28(29,30)31)15-24(33-27)19-8-4-3-5-9-19/h3-15H,2,17H2,1H3