N-[(4-methylphenyl)sulfanyl-phenyl-methyl]-4-nitro-aniline

Systemtic Name: N-[(4-methylphenyl)sulfanyl-phenyl-methyl]-4-nitro-aniline Openeye Name: 4-nitro-N-[phenyl(p-tolylsulfanyl)methyl]aniline CAS Name: N-[[(4-methylphenyl)thio]-phenylmethyl]-4-nitroaniline IUPAC Name: N-[(4-methylphenyl)sulfanyl-phenylmethyl]-4-nitroaniline Traditional Name: (4-nitrophenyl)-[phenyl-(p-tolylthio)methyl]amine Formula: C20H18N2O2S MolecularWeight: 350.43412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C2=CC=CC=C2)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC(C2=CC=CC=C2)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O2S/c1-15-7-13-19(14-8-15)25-20(16-5-3-2-4-6-16)21-17-9-11-18(12-10-17)22(23)24/h2-14,20-21H,1H3