methyl 5-[[5-(2-propan-2-yloxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[5-(2-propan-2-yloxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[5-(2-isopropoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[5-(2-propan-2-yloxyphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[5-(2-propan-2-yloxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[5-(2-isopropoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1C2=NC(=NN2)SCC3=CC=C(O3)C(=O)OC

Isomeric SMILES

CC(C)OC1=CC=CC=C1C2=NC(=NN2)SCC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C18H19N3O4S/c1-11(2)24-14-7-5-4-6-13(14)16-19-18(21-20-16)26-10-12-8-9-15(25-12)17(22)23-3/h4-9,11H,10H2,1-3H3,(H,19,20,21)