3-methyl-N-[[10-(3-nitrophenyl)sulfanylanthracen-9-yl]methyl]aniline

Systemtic Name: 3-methyl-N-[[10-(3-nitrophenyl)sulfanylanthracen-9-yl]methyl]aniline Openeye Name: 3-methyl-N-[[10-(3-nitrophenyl)sulfanyl-9-anthryl]methyl]aniline CAS Name: 3-methyl-N-[[10-[(3-nitrophenyl)thio]-9-anthracenyl]methyl]aniline IUPAC Name: 3-methyl-N-[[10-(3-nitrophenyl)sulfanylanthracen-9-yl]methyl]aniline Traditional Name: m-tolyl-[[10-[(3-nitrophenyl)thio]-9-anthryl]methyl]amine Formula: C28H22N2O2S MolecularWeight: 450.55148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NCC2=C3C=CC=CC3=C(C4=CC=CC=C42)SC5=CC=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NCC2=C3C=CC=CC3=C(C4=CC=CC=C42)SC5=CC=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H22N2O2S/c1-19-8-6-9-20(16-19)29-18-27-23-12-2-4-14-25(23)28(26-15-5-3-13-24(26)27)33-22-11-7-10-21(17-22)30(31)32/h2-17,29H,18H2,1H3