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

Systemtic Name: 3-(2-methylphenyl)-2-(2-oxidanylidenepropylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-acetonylsulfanyl-3-(o-tolyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(2-methylphenyl)-2-(2-oxopropylthio)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(2-methylphenyl)-2-(2-oxopropylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-(acetonylthio)-3-(o-tolyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C20H17N3O2S MolecularWeight: 363.43288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)C

InChI

InChI=1S/C20H17N3O2S/c1-12-7-3-6-10-16(12)23-19(25)18-17(22-20(23)26-11-13(2)24)14-8-4-5-9-15(14)21-18/h3-10,21H,11H2,1-2H3