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

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[(2-chlorophenyl)methylthio]-3-(3,5-dimethylphenyl)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[(2-chlorobenzyl)thio]-3-(3,5-dimethylphenyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C25H20ClN3OS MolecularWeight: 445.9638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC5=CC=CC=C5Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC5=CC=CC=C5Cl)C

InChI

InChI=1S/C25H20ClN3OS/c1-15-11-16(2)13-18(12-15)29-24(30)23-22(19-8-4-6-10-21(19)27-23)28-25(29)31-14-17-7-3-5-9-20(17)26/h3-13,27H,14H2,1-2H3