5-bromanyl-2-(3,5-dimethoxyphenyl)-1-methyl-3-phenylsulfanyl-indole

Systemtic Name: 5-bromanyl-2-(3,5-dimethoxyphenyl)-1-methyl-3-phenylsulfanyl-indole Openeye Name: 5-bromo-2-(3,5-dimethoxyphenyl)-1-methyl-3-phenylsulfanyl-indole CAS Name: 5-bromo-2-(3,5-dimethoxyphenyl)-1-methyl-3-(phenylthio)indole IUPAC Name: 5-bromo-2-(3,5-dimethoxyphenyl)-1-methyl-3-phenylsulfanylindole Traditional Name: 5-bromo-2-(3,5-dimethoxyphenyl)-1-methyl-3-(phenylthio)indole Formula: C23H20BrNO2S MolecularWeight: 454.3794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Br)C(=C1C3=CC(=CC(=C3)OC)OC)SC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=C(C=C2)Br)C(=C1C3=CC(=CC(=C3)OC)OC)SC4=CC=CC=C4

InChI

InChI=1S/C23H20BrNO2S/c1-25-21-10-9-16(24)13-20(21)23(28-19-7-5-4-6-8-19)22(25)15-11-17(26-2)14-18(12-15)27-3/h4-14H,1-3H3