4-(2-chlorophenyl)-6-[3-[(2-methylsulfanylphenyl)amino]propyl]-9-oxidanyl-pyrrolo[3,4-c]carbazole-1,3-dione

Systemtic Name: 4-(2-chlorophenyl)-6-[3-[(2-methylsulfanylphenyl)amino]propyl]-9-oxidanyl-pyrrolo[3,4-c]carbazole-1,3-dione Openeye Name: 4-(2-chlorophenyl)-9-hydroxy-6-[3-(2-methylsulfanylanilino)propyl]pyrrolo[3,4-c]carbazole-1,3-dione CAS Name: 4-(2-chlorophenyl)-9-hydroxy-6-[3-[2-(methylthio)anilino]propyl]pyrrolo[3,4-c]carbazole-1,3-dione IUPAC Name: 4-(2-chlorophenyl)-9-hydroxy-6-[3-(2-methylsulfanylanilino)propyl]pyrrolo[3,4-c]carbazole-1,3-dione Traditional Name: 4-(2-chlorophenyl)-9-hydroxy-6-[3-[2-(methylthio)anilino]propyl]pyrrolo[3,4-c]carbazole-1,3-quinone Formula: C30H24ClN3O3S MolecularWeight: 542.04786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NCCCN2C3=C(C=C(C=C3)O)C4=C2C=C(C5=C4C(=O)NC5=O)C6=CC=CC=C6Cl

Isomeric SMILES

CSC1=CC=CC=C1NCCCN2C3=C(C=C(C=C3)O)C4=C2C=C(C5=C4C(=O)NC5=O)C6=CC=CC=C6Cl

InChI

InChI=1S/C30H24ClN3O3S/c1-38-25-10-5-4-9-22(25)32-13-6-14-34-23-12-11-17(35)15-20(23)26-24(34)16-19(18-7-2-3-8-21(18)31)27-28(26)30(37)33-29(27)36/h2-5,7-12,15-16,32,35H,6,13-14H2,1H3,(H,33,36,37)