N-(3-methylsulfanylphenyl)-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-(3-methylsulfanylphenyl)-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-(3-methylsulfanylphenyl)-4-methylsulfonyl-2-nitro-aniline CAS Name: 4-methylsulfonyl-N-[3-(methylthio)phenyl]-2-nitroaniline IUPAC Name: N-(3-methylsulfanylphenyl)-4-methylsulfonyl-2-nitroaniline Traditional Name: (4-mesyl-2-nitro-phenyl)-[3-(methylthio)phenyl]amine Formula: C14H14N2O4S2 MolecularWeight: 338.40196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC(=C1)NC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O4S2/c1-21-11-5-3-4-10(8-11)15-13-7-6-12(22(2,19)20)9-14(13)16(17)18/h3-9,15H,1-2H3