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

Systemtic Name: diethyl 5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-[[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(C(=C(N2)C(=O)OCC)C)C(=O)OCC)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(C(=C(N2)C(=O)OCC)C)C(=O)OCC)C3=CC=CC=C3

InChI

InChI=1S/C22H26N4O4S/c1-5-26-19(15-11-9-8-10-12-15)24-25-22(26)31-13-16-17(20(27)29-6-2)14(4)18(23-16)21(28)30-7-3/h8-12,23H,5-7,13H2,1-4H3