3-(4-bromanyl-2-nitro-phenyl)sulfanylaniline

Systemtic Name: 3-(4-bromanyl-2-nitro-phenyl)sulfanylaniline Openeye Name: 3-(4-bromo-2-nitro-phenyl)sulfanylaniline CAS Name: 3-[(4-bromo-2-nitrophenyl)thio]aniline IUPAC Name: 3-(4-bromo-2-nitrophenyl)sulfanylaniline Traditional Name: [3-[(4-bromo-2-nitro-phenyl)thio]phenyl]amine Formula: C12H9BrN2O2S MolecularWeight: 325.18106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SC2=C(C=C(C=C2)Br)[N+](=O)[O-])N

Isomeric SMILES

C1=CC(=CC(=C1)SC2=C(C=C(C=C2)Br)[N+](=O)[O-])N

InChI

InChI=1S/C12H9BrN2O2S/c13-8-4-5-12(11(6-8)15(16)17)18-10-3-1-2-9(14)7-10/h1-7H,14H2