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

Systemtic Name: methyl 2-[2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[[5-(2-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C22H18N4O4S/c1-29-21(28)16-10-5-6-11-17(16)23-19(27)14-31-22-25-24-20(18-12-7-13-30-18)26(22)15-8-3-2-4-9-15/h2-13H,14H2,1H3,(H,23,27)