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

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[(4-bromophenyl)methylthio]-3-(4-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[(4-bromobenzyl)thio]-3-(4-methoxyphenyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C24H18BrN3O2S MolecularWeight: 492.38762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC5=CC=C(C=C5)Br

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC5=CC=C(C=C5)Br

InChI

InChI=1S/C24H18BrN3O2S/c1-30-18-12-10-17(11-13-18)28-23(29)22-21(19-4-2-3-5-20(19)26-22)27-24(28)31-14-15-6-8-16(25)9-7-15/h2-13,26H,14H2,1H3