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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(C(=O)N2C4=CC(=CC=C4)Cl)NC5=CC=CC=C53

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(C(=O)N2C4=CC(=CC=C4)Cl)NC5=CC=CC=C53

InChI

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