2-[(3,4-dichlorophenyl)methylsulfanyl]-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[(3,4-dichlorophenyl)methylthio]-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-3-(4-nitrophenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[(3,4-dichlorobenzyl)thio]-3-(4-nitrophenyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C23H14Cl2N4O3S MolecularWeight: 497.35326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C(=N3)SCC4=CC(=C(C=C4)Cl)Cl)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C(=N3)SCC4=CC(=C(C=C4)Cl)Cl)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H14Cl2N4O3S/c24-17-10-5-13(11-18(17)25)12-33-23-27-20-16-3-1-2-4-19(16)26-21(20)22(30)28(23)14-6-8-15(9-7-14)29(31)32/h1-11,26H,12H2