4-fluoranyl-3-(1,2,4-triazol-1-ylmethyl)-1-benzothiophene-2-carboxylic acid

Systemtic Name: 4-fluoranyl-3-(1,2,4-triazol-1-ylmethyl)-1-benzothiophene-2-carboxylic acid Openeye Name: 4-fluoro-3-(1,2,4-triazol-1-ylmethyl)benzothiophene-2-carboxylic acid CAS Name: 4-fluoro-3-(1,2,4-triazol-1-ylmethyl)-1-benzothiophene-2-carboxylic acid IUPAC Name: 4-fluoro-3-(1,2,4-triazol-1-ylmethyl)-1-benzothiophene-2-carboxylic acid Traditional Name: 4-fluoro-3-(1,2,4-triazol-1-ylmethyl)benzothiophene-2-carboxylic acid Formula: C12H8FN3O2S MolecularWeight: 277.274223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)SC(=C2CN3C=NC=N3)C(=O)O)F

Isomeric SMILES

C1=CC(=C2C(=C1)SC(=C2CN3C=NC=N3)C(=O)O)F

InChI

InChI=1S/C12H8FN3O2S/c13-8-2-1-3-9-10(8)7(11(19-9)12(17)18)4-16-6-14-5-15-16/h1-3,5-6H,4H2,(H,17,18)