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

Systemtic Name: 2-[(3-fluorophenyl)methylsulfanyl]-3-phenyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-[(3-fluorophenyl)methylsulfanyl]-3-phenyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[(3-fluorophenyl)methylthio]-3-phenyl-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[(3-fluorophenyl)methylsulfanyl]-3-phenyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[(3-fluorobenzyl)thio]-3-phenyl-5H-pyrimid[5,4-b]indol-4-one Formula: C23H16FN3OS MolecularWeight: 401.456043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H16FN3OS/c24-16-8-6-7-15(13-16)14-29-23-26-20-18-11-4-5-12-19(18)25-21(20)22(28)27(23)17-9-2-1-3-10-17/h1-13,25H,14H2