4-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-3-methyl-aniline

Systemtic Name: 4-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-3-methyl-aniline Openeye Name: 4-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-3-methyl-aniline CAS Name: 4-[(4-bromo-2-fluorophenyl)methylthio]-3-methylaniline IUPAC Name: 4-[(4-bromo-2-fluorophenyl)methylsulfanyl]-3-methylaniline Traditional Name: [4-[(4-bromo-2-fluoro-benzyl)thio]-3-methyl-phenyl]amine Formula: C14H13BrFNS MolecularWeight: 326.227123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N)SCC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CC1=C(C=CC(=C1)N)SCC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C14H13BrFNS/c1-9-6-12(17)4-5-14(9)18-8-10-2-3-11(15)7-13(10)16/h2-7H,8,17H2,1H3