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

Systemtic Name: dimethyl 5-azanyl-3-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[[4-(2-furylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[4-(2-furanylmethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[[4-(2-furfuryl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C22H20N4O5S2 MolecularWeight: 484.548

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CC=C4)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CC=C4)C(=O)OC)N

InChI

InChI=1S/C22H20N4O5S2/c1-29-20(27)16-15(17(21(28)30-2)33-18(16)23)12-32-22-25-24-19(13-7-4-3-5-8-13)26(22)11-14-9-6-10-31-14/h3-10H,11-12,23H2,1-2H3