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

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-(4-ethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-(4-ethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[(4-chlorophenyl)methylthio]-3-(4-ethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-(4-ethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[(4-chlorobenzyl)thio]-3-p-phenetyl-5H-pyrimid[5,4-b]indol-4-one Formula: C25H20ClN3O2S MolecularWeight: 461.9632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20ClN3O2S/c1-2-31-19-13-11-18(12-14-19)29-24(30)23-22(20-5-3-4-6-21(20)27-23)28-25(29)32-15-16-7-9-17(26)10-8-16/h3-14,27H,2,15H2,1H3