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

Systemtic Name: methyl 5-[[2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[[2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]methyl]furan-2-carboxylate CAS Name: 5-[[[2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[[2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]methyl]furan-2-carboxylate Traditional Name: 5-[[[2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]methyl]furan-2-carboxylic acid methyl ester Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NCC2=CC=C(O2)C(=O)OC)COC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NCC2=CC=C(O2)C(=O)OC)COC3=CC=CC=C3

InChI

InChI=1S/C19H20N4O5S/c1-23-16(11-27-13-6-4-3-5-7-13)21-22-19(23)29-12-17(24)20-10-14-8-9-15(28-14)18(25)26-2/h3-9H,10-12H2,1-2H3,(H,20,24)