2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-phenyl-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-phenyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-phenyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-3-phenyl-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-phenyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-3-phenyl-5H-pyrimid[5,4-b]indol-4-one Formula: C23H15ClFN3OS MolecularWeight: 435.901103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC5=C(C=CC=C5Cl)F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC5=C(C=CC=C5Cl)F

InChI

InChI=1S/C23H15ClFN3OS/c24-17-10-6-11-18(25)16(17)13-30-23-27-20-15-9-4-5-12-19(15)26-21(20)22(29)28(23)14-7-2-1-3-8-14/h1-12,26H,13H2