diethyl 5-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: diethyl 5-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 5-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-[[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C22H27N5O5S MolecularWeight: 473.54528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CSC2=NN=C(N2CCOC)C3=CC=NC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CSC2=NN=C(N2CCOC)C3=CC=NC=C3

InChI

InChI=1S/C22H27N5O5S/c1-5-31-20(28)17-14(3)18(21(29)32-6-2)24-16(17)13-33-22-26-25-19(27(22)11-12-30-4)15-7-9-23-10-8-15/h7-10,24H,5-6,11-13H2,1-4H3