4-(2-chlorophenyl)-6-methyl-9-oxidanyl-8-(3-pyrrolidin-1-ylpropylsulfanyl)pyrrolo[3,4-c]carbazole-1,3-dione

Systemtic Name: 4-(2-chlorophenyl)-6-methyl-9-oxidanyl-8-(3-pyrrolidin-1-ylpropylsulfanyl)pyrrolo[3,4-c]carbazole-1,3-dione Openeye Name: 4-(2-chlorophenyl)-9-hydroxy-6-methyl-8-(3-pyrrolidin-1-ylpropylsulfanyl)pyrrolo[3,4-c]carbazole-1,3-dione CAS Name: 4-(2-chlorophenyl)-9-hydroxy-6-methyl-8-[3-(1-pyrrolidinyl)propylthio]pyrrolo[3,4-c]carbazole-1,3-dione IUPAC Name: 4-(2-chlorophenyl)-9-hydroxy-6-methyl-8-(3-pyrrolidin-1-ylpropylsulfanyl)pyrrolo[3,4-c]carbazole-1,3-dione Traditional Name: 4-(2-chlorophenyl)-9-hydroxy-6-methyl-8-(3-pyrrolidinopropylthio)pyrrolo[3,4-c]carbazole-1,3-quinone Formula: C28H26ClN3O3S MolecularWeight: 520.04234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=C(C=C2C3=C1C=C(C4=C3C(=O)NC4=O)C5=CC=CC=C5Cl)O)SCCCN6CCCC6

Isomeric SMILES

CN1C2=CC(=C(C=C2C3=C1C=C(C4=C3C(=O)NC4=O)C5=CC=CC=C5Cl)O)SCCCN6CCCC6

InChI

InChI=1S/C28H26ClN3O3S/c1-31-20-15-23(36-12-6-11-32-9-4-5-10-32)22(33)14-18(20)24-21(31)13-17(16-7-2-3-8-19(16)29)25-26(24)28(35)30-27(25)34/h2-3,7-8,13-15,33H,4-6,9-12H2,1H3,(H,30,34,35)