4-(5-bromanyl-2-fluoranyl-phenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one

Systemtic Name: 4-(5-bromanyl-2-fluoranyl-phenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-(5-bromo-2-fluoro-phenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 4-(5-bromo-2-fluorophenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 4-(5-bromo-2-fluorophenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-(5-bromo-2-fluoro-phenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C12H9BrFN3OS MolecularWeight: 342.186763

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N=C2C(=CNN2)C(S1)C3=C(C=CC(=C3)Br)F

Isomeric SMILES

C1C(=O)N=C2C(=CNN2)C(S1)C3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C12H9BrFN3OS/c13-6-1-2-9(14)7(3-6)11-8-4-15-17-12(8)16-10(18)5-19-11/h1-4,11H,5H2,(H2,15,16,17,18)