dimethyl 5-azanyl-3-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H18N4O5S2 MolecularWeight: 434.48932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C=NN=C2SCC3=C(SC(=C3C(=O)OC)N)C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1N2C=NN=C2SCC3=C(SC(=C3C(=O)OC)N)C(=O)OC

InChI

InChI=1S/C18H18N4O5S2/c1-25-12-7-5-4-6-11(12)22-9-20-21-18(22)28-8-10-13(16(23)26-2)15(19)29-14(10)17(24)27-3/h4-7,9H,8,19H2,1-3H3