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

Systemtic Name: 3-(4-ethoxyphenyl)-2-[(3-fluorophenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(4-ethoxyphenyl)-2-[(3-fluorophenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(4-ethoxyphenyl)-2-[(3-fluorophenyl)methylthio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(4-ethoxyphenyl)-2-[(3-fluorophenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[(3-fluorobenzyl)thio]-3-p-phenetyl-5H-pyrimid[5,4-b]indol-4-one Formula: C25H20FN3O2S MolecularWeight: 445.508603

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C25H20FN3O2S/c1-2-31-19-12-10-18(11-13-19)29-24(30)23-22(20-8-3-4-9-21(20)27-23)28-25(29)32-15-16-6-5-7-17(26)14-16/h3-14,27H,2,15H2,1H3