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

Systemtic Name: diethyl 3-methyl-5-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CSC2=NN=C(N2C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CSC2=NN=C(N2C)C3=CC=CC=C3

InChI

InChI=1S/C21H24N4O4S/c1-5-28-19(26)16-13(3)17(20(27)29-6-2)22-15(16)12-30-21-24-23-18(25(21)4)14-10-8-7-9-11-14/h7-11,22H,5-6,12H2,1-4H3