4-[2-[[5-(1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 4-[2-[[5-(1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[[5-(benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid CAS Name: 4-[[2-[[5-(2-benzofuranyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[[5-(1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[[5-(benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H18N4O4S/c1-2-25-19(17-11-14-5-3-4-6-16(14)29-17)23-24-21(25)30-12-18(26)22-15-9-7-13(8-10-15)20(27)28/h3-11H,2,12H2,1H3,(H,22,26)(H,27,28)