4-[2,5-dimethyl-4-(6-methylsulfanylpyridin-3-yl)phenyl]-3-fluoranyl-aniline

Systemtic Name: 4-[2,5-dimethyl-4-(6-methylsulfanylpyridin-3-yl)phenyl]-3-fluoranyl-aniline Openeye Name: 4-[2,5-dimethyl-4-(6-methylsulfanyl-3-pyridyl)phenyl]-3-fluoro-aniline CAS Name: 4-[2,5-dimethyl-4-[6-(methylthio)-3-pyridinyl]phenyl]-3-fluoroaniline IUPAC Name: 4-[2,5-dimethyl-4-(6-methylsulfanylpyridin-3-yl)phenyl]-3-fluoroaniline Traditional Name: [4-[2,5-dimethyl-4-[6-(methylthio)-3-pyridyl]phenyl]-3-fluoro-phenyl]amine Formula: C20H19FN2S MolecularWeight: 338.441663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=CN=C(C=C2)SC)C)C3=C(C=C(C=C3)N)F

Isomeric SMILES

CC1=CC(=C(C=C1C2=CN=C(C=C2)SC)C)C3=C(C=C(C=C3)N)F

InChI

InChI=1S/C20H19FN2S/c1-12-9-18(16-6-5-15(22)10-19(16)21)13(2)8-17(12)14-4-7-20(24-3)23-11-14/h4-11H,22H2,1-3H3