3-[[4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-fluoranyl-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-[[4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-fluoranyl-1-benzothiophene-2-carboxylic acid Openeye Name: 3-[[4-ethyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-fluoro-benzothiophene-2-carboxylic acid CAS Name: 3-[[[4-ethyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-[[4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-fluoro-1-benzothiophene-2-carboxylic acid Traditional Name: 3-[[[4-ethyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]methyl]-4-fluoro-benzothiophene-2-carboxylic acid Formula: C19H16FN3O3S2 MolecularWeight: 417.477043

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(SC3=CC=CC(=C32)F)C(=O)O)C4=C(OC=C4)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(SC3=CC=CC(=C32)F)C(=O)O)C4=C(OC=C4)C

InChI

InChI=1S/C19H16FN3O3S2/c1-3-23-17(11-7-8-26-10(11)2)21-22-19(23)27-9-12-15-13(20)5-4-6-14(15)28-16(12)18(24)25/h4-8H,3,9H2,1-2H3,(H,24,25)