4-fluoranyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylic acid

Systemtic Name: 4-fluoranyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylic acid Openeye Name: 4-fluoro-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzothiophene-2-carboxylic acid CAS Name: 4-fluoro-3-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 4-fluoro-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylic acid Traditional Name: 4-fluoro-3-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]benzothiophene-2-carboxylic acid Formula: C13H10FN3O2S2 MolecularWeight: 323.365803

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC2=C(SC3=CC=CC(=C32)F)C(=O)O

Isomeric SMILES

CN1C=NN=C1SCC2=C(SC3=CC=CC(=C32)F)C(=O)O

InChI

InChI=1S/C13H10FN3O2S2/c1-17-6-15-16-13(17)20-5-7-10-8(14)3-2-4-9(10)21-11(7)12(18)19/h2-4,6H,5H2,1H3,(H,18,19)