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

Systemtic Name: 4-[2-[[5-(1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: 4-[[2-[[4-allyl-5-(benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[5-(2-benzofuranyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-[[5-(1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[4-allyl-5-(benzofuran-2-yl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoate Formula: C22H17N4O4S- MolecularWeight: 433.45978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O4S/c1-2-11-26-20(18-12-15-5-3-4-6-17(15)30-18)24-25-22(26)31-13-19(27)23-16-9-7-14(8-10-16)21(28)29/h2-10,12H,1,11,13H2,(H,23,27)(H,28,29)/p-1