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

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-1-[(4-nitrophenyl)methyl]indole Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-1-[(4-nitrophenyl)methyl]indole CAS Name: 3-[(4-chlorophenyl)methylthio]-1-[(4-nitrophenyl)methyl]indole IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-1-[(4-nitrophenyl)methyl]indole Traditional Name: 3-[(4-chlorobenzyl)thio]-1-(4-nitrobenzyl)indole Formula: C22H17ClN2O2S MolecularWeight: 408.90058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H17ClN2O2S/c23-18-9-5-17(6-10-18)15-28-22-14-24(21-4-2-1-3-20(21)22)13-16-7-11-19(12-8-16)25(26)27/h1-12,14H,13,15H2