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

Systemtic Name: methyl 5-[[4-azanyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C18H20N4O5S MolecularWeight: 404.4402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSC2=NN=C(N2N)C3=CC(=C(C=C3)OC)OC)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CSC2=NN=C(N2N)C3=CC(=C(C=C3)OC)OC)C(=O)OC

InChI

InChI=1S/C18H20N4O5S/c1-10-13(17(23)26-4)8-12(27-10)9-28-18-21-20-16(22(18)19)11-5-6-14(24-2)15(7-11)25-3/h5-8H,9,19H2,1-4H3