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

Systemtic Name: 2-[2-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: 2-[[2-[[5-(benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[[5-(2-benzofuranyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoate IUPAC Name: 2-[[2-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[[5-(benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoate Formula: C20H15N4O4S- MolecularWeight: 407.4225

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)[O-])C3=CC4=CC=CC=C4O3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)[O-])C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C20H16N4O4S/c1-24-18(16-10-12-6-2-5-9-15(12)28-16)22-23-20(24)29-11-17(25)21-14-8-4-3-7-13(14)19(26)27/h2-10H,11H2,1H3,(H,21,25)(H,26,27)/p-1