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

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-methyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-methyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-3-methyl-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-methyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-3-methyl-5H-pyrimid[5,4-b]indol-4-one Formula: C18H13ClFN3OS MolecularWeight: 373.831723

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC4=C(C=CC=C4Cl)F

Isomeric SMILES

CN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C18H13ClFN3OS/c1-23-17(24)16-15(10-5-2-3-8-14(10)21-16)22-18(23)25-9-11-12(19)6-4-7-13(11)20/h2-8,21H,9H2,1H3