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

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(4-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(p-tolyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-3-(4-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(4-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-3-(p-tolyl)-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=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC5=C(C=CC(=C5)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC5=C(C=CC(=C5)C)C

InChI

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