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

Systemtic Name: methyl 5-[[4-azanyl-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[(4-amino-5-p-phenetyl-1,2,4-triazol-3-yl)thio]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC(=C(O3)C)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC(=C(O3)C)C(=O)OC

InChI

InChI=1S/C18H20N4O4S/c1-4-25-13-7-5-12(6-8-13)16-20-21-18(22(16)19)27-10-14-9-15(11(2)26-14)17(23)24-3/h5-9H,4,10,19H2,1-3H3