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

Systemtic Name: 3-[[4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-benzofuran-2-carboxylic acid Openeye Name: 3-[[4-ethyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzofuran-2-carboxylic acid CAS Name: 3-[[[4-ethyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]methyl]-2-benzofurancarboxylic acid IUPAC Name: 3-[[4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-benzofuran-2-carboxylic acid Traditional Name: 3-[[[4-ethyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]methyl]coumarilic acid Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(OC3=CC=CC=C32)C(=O)O)C4=C(OC=C4)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(OC3=CC=CC=C32)C(=O)O)C4=C(OC=C4)C

InChI

InChI=1S/C19H17N3O4S/c1-3-22-17(12-8-9-25-11(12)2)20-21-19(22)27-10-14-13-6-4-5-7-15(13)26-16(14)18(23)24/h4-9H,3,10H2,1-2H3,(H,23,24)