4-fluoranyl-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzothiophene-2-carboxylic acid

Systemtic Name: 4-fluoranyl-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzothiophene-2-carboxylic acid Openeye Name: 4-fluoro-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzothiophene-2-carboxylic acid CAS Name: 4-fluoro-3-[(1H-1,2,4-triazol-5-ylthio)methyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 4-fluoro-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzothiophene-2-carboxylic acid Traditional Name: 4-fluoro-3-[(1H-1,2,4-triazol-5-ylthio)methyl]benzothiophene-2-carboxylic acid Formula: C12H8FN3O2S2 MolecularWeight: 309.339223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)SC(=C2CSC3=NC=NN3)C(=O)O)F

Isomeric SMILES

C1=CC(=C2C(=C1)SC(=C2CSC3=NC=NN3)C(=O)O)F

InChI

InChI=1S/C12H8FN3O2S2/c13-7-2-1-3-8-9(7)6(10(20-8)11(17)18)4-19-12-14-5-15-16-12/h1-3,5H,4H2,(H,17,18)(H,14,15,16)