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

Systemtic Name: 3-(3-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(3-chlorophenyl)-2-(o-tolylmethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(3-chlorophenyl)-2-[(2-methylphenyl)methylthio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(3-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-(3-chlorophenyl)-2-[(2-methylbenzyl)thio]-5H-pyrimid[5,4-b]indol-4-one Formula: C24H18ClN3OS MolecularWeight: 431.93722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC3=C(C(=O)N2C4=CC(=CC=C4)Cl)NC5=CC=CC=C53

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=C(C(=O)N2C4=CC(=CC=C4)Cl)NC5=CC=CC=C53

InChI

InChI=1S/C24H18ClN3OS/c1-15-7-2-3-8-16(15)14-30-24-27-21-19-11-4-5-12-20(19)26-22(21)23(29)28(24)18-10-6-9-17(25)13-18/h2-13,26H,14H2,1H3