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

Systemtic Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[(3,4-dichlorophenyl)methylthio]-3-(3,5-dimethylphenyl)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[(3,4-dichlorobenzyl)thio]-3-(3,5-dimethylphenyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C25H19Cl2N3OS MolecularWeight: 480.40886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC5=CC(=C(C=C5)Cl)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC5=CC(=C(C=C5)Cl)Cl)C

InChI

InChI=1S/C25H19Cl2N3OS/c1-14-9-15(2)11-17(10-14)30-24(31)23-22(18-5-3-4-6-21(18)28-23)29-25(30)32-13-16-7-8-19(26)20(27)12-16/h3-12,28H,13H2,1-2H3