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

Systemtic Name: 3-[2-[[5-(5-chloranyl-1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[[5-(5-chlorobenzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid CAS Name: 3-[[2-[[5-(5-chloro-2-benzofuranyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[[5-(5-chloro-1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid Traditional Name: 3-[[2-[[5-(5-chlorobenzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid Formula: C21H17ClN4O4S MolecularWeight: 456.90208

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)O)C3=CC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)O)C3=CC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C21H17ClN4O4S/c1-2-26-19(17-10-13-8-14(22)6-7-16(13)30-17)24-25-21(26)31-11-18(27)23-15-5-3-4-12(9-15)20(28)29/h3-10H,2,11H2,1H3,(H,23,27)(H,28,29)