2-(3-azanyl-4-fluoranyl-phenyl)-2-bromanyl-ethanethioic S-acid

Systemtic Name: 2-(3-azanyl-4-fluoranyl-phenyl)-2-bromanyl-ethanethioic S-acid Openeye Name: 2-(3-amino-4-fluoro-phenyl)-2-bromo-ethanethioic S-acid CAS Name: 2-(3-amino-4-fluorophenyl)-2-bromoethanethioic S-acid IUPAC Name: 2-(3-amino-4-fluorophenyl)-2-bromoethanethioic S-acid Traditional Name: 2-(3-amino-4-fluoro-phenyl)-2-bromo-thioacetic acid Formula: C8H7BrFNOS MolecularWeight: 264.114683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(C(=O)S)Br)N)F

Isomeric SMILES

C1=CC(=C(C=C1C(C(=O)S)Br)N)F

InChI

InChI=1S/C8H7BrFNOS/c9-7(8(12)13)4-1-2-5(10)6(11)3-4/h1-3,7H,11H2,(H,12,13)