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

Systemtic Name: 3-(4-methoxyphenyl)-2-phenacylsulfanyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(4-methoxyphenyl)-2-phenacylsulfanyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(4-methoxyphenyl)-2-(phenacylthio)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(4-methoxyphenyl)-2-phenacylsulfanyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-(4-methoxyphenyl)-2-(phenacylthio)-5H-pyrimid[5,4-b]indol-4-one Formula: C25H19N3O3S MolecularWeight: 441.50166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H19N3O3S/c1-31-18-13-11-17(12-14-18)28-24(30)23-22(19-9-5-6-10-20(19)26-23)27-25(28)32-15-21(29)16-7-3-2-4-8-16/h2-14,26H,15H2,1H3