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

Systemtic Name: methyl 5-[[5-(4-butoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[5-(4-butoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[5-(4-butoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[5-(4-butoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[5-(4-butoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=C(O3)C(=O)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C19H21N3O4S/c1-3-4-11-25-14-7-5-13(6-8-14)17-20-19(22-21-17)27-12-15-9-10-16(26-15)18(23)24-2/h5-10H,3-4,11-12H2,1-2H3,(H,20,21,22)