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

Systemtic Name: 3-(2,3-dimethylphenyl)-2-(2-oxidanylidenepropylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-acetonylsulfanyl-3-(2,3-dimethylphenyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(2,3-dimethylphenyl)-2-(2-oxopropylthio)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(2,3-dimethylphenyl)-2-(2-oxopropylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-(acetonylthio)-3-(2,3-dimethylphenyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O2S/c1-12-7-6-10-17(14(12)3)24-20(26)19-18(23-21(24)27-11-13(2)25)15-8-4-5-9-16(15)22-19/h4-10,22H,11H2,1-3H3