3-[2-[[5-(5-bromanyl-1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: 3-[2-[[5-(5-bromanyl-1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: 3-[[2-[[5-(5-bromobenzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[[5-(5-bromo-2-benzofuranyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoate IUPAC Name: 3-[[2-[[5-(5-bromo-1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[[5-(5-bromobenzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoate Formula: C20H14BrN4O4S- MolecularWeight: 486.31856

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)[O-])C3=CC4=C(O3)C=CC(=C4)Br

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)[O-])C3=CC4=C(O3)C=CC(=C4)Br

InChI

InChI=1S/C20H15BrN4O4S/c1-25-18(16-9-12-7-13(21)5-6-15(12)29-16)23-24-20(25)30-10-17(26)22-14-4-2-3-11(8-14)19(27)28/h2-9H,10H2,1H3,(H,22,26)(H,27,28)/p-1