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

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

CCCN1C(=NN=C1SCC2=CC=C(O2)C(=O)OC)COC3=CC=CC=C3

Isomeric SMILES

CCCN1C(=NN=C1SCC2=CC=C(O2)C(=O)OC)COC3=CC=CC=C3

InChI

InChI=1S/C19H21N3O4S/c1-3-11-22-17(12-25-14-7-5-4-6-8-14)20-21-19(22)27-13-15-9-10-16(26-15)18(23)24-2/h4-10H,3,11-13H2,1-2H3