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

Systemtic Name: 3-(3,5-dimethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(3,5-dimethylphenyl)-2-(m-tolylmethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(3,5-dimethylphenyl)-2-[(3-methylphenyl)methylthio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(3,5-dimethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-(3,5-dimethylphenyl)-2-[(3-methylbenzyl)thio]-5H-pyrimid[5,4-b]indol-4-one Formula: C26H23N3OS MolecularWeight: 425.54532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC3=C(C(=O)N2C4=CC(=CC(=C4)C)C)NC5=CC=CC=C53

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC3=C(C(=O)N2C4=CC(=CC(=C4)C)C)NC5=CC=CC=C53

InChI

InChI=1S/C26H23N3OS/c1-16-7-6-8-19(12-16)15-31-26-28-23-21-9-4-5-10-22(21)27-24(23)25(30)29(26)20-13-17(2)11-18(3)14-20/h4-14,27H,15H2,1-3H3