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

Systemtic Name: 4-[2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: 4-[[2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[5-(2-furanyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoate Formula: C16H13N4O4S- MolecularWeight: 357.36382

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)[O-])C3=CC=CO3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)[O-])C3=CC=CO3

InChI

InChI=1S/C16H14N4O4S/c1-20-14(12-3-2-8-24-12)18-19-16(20)25-9-13(21)17-11-6-4-10(5-7-11)15(22)23/h2-8H,9H2,1H3,(H,17,21)(H,22,23)/p-1