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

Systemtic Name: 3-(3-methoxyphenyl)-2-(phenylmethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-benzylsulfanyl-3-(3-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(3-methoxyphenyl)-2-(phenylmethylthio)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-benzylsulfanyl-3-(3-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-(benzylthio)-3-(3-methoxyphenyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C24H19N3O2S MolecularWeight: 413.49156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19N3O2S/c1-29-18-11-7-10-17(14-18)27-23(28)22-21(19-12-5-6-13-20(19)25-22)26-24(27)30-15-16-8-3-2-4-9-16/h2-14,25H,15H2,1H3