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

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-3-(4-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-3-(p-tolyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[(4-bromophenyl)methylthio]-3-(4-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-3-(4-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[(4-bromobenzyl)thio]-3-(p-tolyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C24H18BrN3OS MolecularWeight: 476.38822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H18BrN3OS/c1-15-6-12-18(13-7-15)28-23(29)22-21(19-4-2-3-5-20(19)26-22)27-24(28)30-14-16-8-10-17(25)11-9-16/h2-13,26H,14H2,1H3