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

Systemtic Name: 3-(4-methylphenyl)-2-[(4-methylphenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(p-tolyl)-2-(p-tolylmethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(4-methylphenyl)-2-[(4-methylphenyl)methylthio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(4-methylphenyl)-2-[(4-methylphenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[(4-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)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)C)NC5=CC=CC=C53

Isomeric SMILES

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

InChI

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