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

Systemtic Name: 3-(4-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-(m-tolylmethylsulfanyl)-3-(p-tolyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(4-methylphenyl)-2-[(3-methylphenyl)methylthio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(4-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[(3-methylbenzyl)thio]-3-(p-tolyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C25H21N3OS MolecularWeight: 411.51874

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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=CC=CC(=C5)C

Isomeric SMILES

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

InChI

InChI=1S/C25H21N3OS/c1-16-10-12-19(13-11-16)28-24(29)23-22(20-8-3-4-9-21(20)26-23)27-25(28)30-15-18-7-5-6-17(2)14-18/h3-14,26H,15H2,1-2H3