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

Systemtic Name: 3-(2,5-dimethylphenyl)-2-phenacylsulfanyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(2,5-dimethylphenyl)-2-phenacylsulfanyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(2,5-dimethylphenyl)-2-(phenacylthio)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(2,5-dimethylphenyl)-2-phenacylsulfanyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-(2,5-dimethylphenyl)-2-(phenacylthio)-5H-pyrimid[5,4-b]indol-4-one Formula: C26H21N3O2S MolecularWeight: 439.52884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21N3O2S/c1-16-12-13-17(2)21(14-16)29-25(31)24-23(19-10-6-7-11-20(19)27-24)28-26(29)32-15-22(30)18-8-4-3-5-9-18/h3-14,27H,15H2,1-2H3