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

Systemtic Name: 3-(3,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(3,5-dimethylphenyl)-2-(o-tolylmethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(3,5-dimethylphenyl)-2-[(2-methylphenyl)methylthio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(3,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-(3,5-dimethylphenyl)-2-[(2-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=C1CSC2=NC3=C(C(=O)N2C4=CC(=CC(=C4)C)C)NC5=CC=CC=C53

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=C(C(=O)N2C4=CC(=CC(=C4)C)C)NC5=CC=CC=C53

InChI

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