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

Systemtic Name: 3-(4-ethoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(4-ethoxyphenyl)-2-(o-tolylmethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(4-ethoxyphenyl)-2-[(2-methylphenyl)methylthio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(4-ethoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[(2-methylbenzyl)thio]-3-p-phenetyl-5H-pyrimid[5,4-b]indol-4-one Formula: C26H23N3O2S MolecularWeight: 441.54472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC5=CC=CC=C5C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC5=CC=CC=C5C

InChI

InChI=1S/C26H23N3O2S/c1-3-31-20-14-12-19(13-15-20)29-25(30)24-23(21-10-6-7-11-22(21)27-24)28-26(29)32-16-18-9-5-4-8-17(18)2/h4-15,27H,3,16H2,1-2H3