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

Systemtic Name: methyl 5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=C(O2)C)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=C(O2)C)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C18H19N3O3S/c1-4-21-16(13-8-6-5-7-9-13)19-20-18(21)25-11-14-10-15(12(2)24-14)17(22)23-3/h5-10H,4,11H2,1-3H3