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

Systemtic Name: 3-(4-ethoxyphenyl)-2-(phenylmethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-benzylsulfanyl-3-(4-ethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(4-ethoxyphenyl)-2-(phenylmethylthio)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-benzylsulfanyl-3-(4-ethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-(benzylthio)-3-p-phenetyl-5H-pyrimid[5,4-b]indol-4-one Formula: C25H21N3O2S MolecularWeight: 427.51814

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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=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC5=CC=CC=C5

InChI

InChI=1S/C25H21N3O2S/c1-2-30-19-14-12-18(13-15-19)28-24(29)23-22(20-10-6-7-11-21(20)26-23)27-25(28)31-16-17-8-4-3-5-9-17/h3-15,26H,2,16H2,1H3