3-[(2-methylphenyl)methylsulfanyl]-1-[(4-nitrophenyl)methyl]indole

Systemtic Name: 3-[(2-methylphenyl)methylsulfanyl]-1-[(4-nitrophenyl)methyl]indole Openeye Name: 1-[(4-nitrophenyl)methyl]-3-(o-tolylmethylsulfanyl)indole CAS Name: 3-[(2-methylphenyl)methylthio]-1-[(4-nitrophenyl)methyl]indole IUPAC Name: 3-[(2-methylphenyl)methylsulfanyl]-1-[(4-nitrophenyl)methyl]indole Traditional Name: 3-[(2-methylbenzyl)thio]-1-(4-nitrobenzyl)indole Formula: C23H20N2O2S MolecularWeight: 388.4821

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CSC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H20N2O2S/c1-17-6-2-3-7-19(17)16-28-23-15-24(22-9-5-4-8-21(22)23)14-18-10-12-20(13-11-18)25(26)27/h2-13,15H,14,16H2,1H3