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

Systemtic Name: diethyl 3-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C15H20N4O4S MolecularWeight: 352.4087

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CSC2=NN=CN2C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CSC2=NN=CN2C

InChI

InChI=1S/C15H20N4O4S/c1-5-22-13(20)11-9(3)12(14(21)23-6-2)17-10(11)7-24-15-18-16-8-19(15)4/h8,17H,5-7H2,1-4H3