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

Systemtic Name: 3-(4-methylphenyl)-2-phenacylsulfanyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-phenacylsulfanyl-3-(p-tolyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(4-methylphenyl)-2-(phenacylthio)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(4-methylphenyl)-2-phenacylsulfanyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-(phenacylthio)-3-(p-tolyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C25H19N3O2S MolecularWeight: 425.50226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H19N3O2S/c1-16-11-13-18(14-12-16)28-24(30)23-22(19-9-5-6-10-20(19)26-23)27-25(28)31-15-21(29)17-7-3-2-4-8-17/h2-14,26H,15H2,1H3