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

Systemtic Name: methyl 5-[[5-(4-propoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[5-(4-propoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[5-(4-propoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[5-(4-propoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[5-(4-propoxyphenyl)-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:

CCCOC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=C(O3)C(=O)OC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=C(O3)C(=O)OC

InChI

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