diethyl 3-methyl-5-[(6-phenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[(6-phenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(6-phenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(6-phenyl-1,2,4-triazin-3-yl)thio]methyl]-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(6-phenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[(6-phenyl-1,2,4-triazin-3-yl)thio]methyl]-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CSC2=NC=C(N=N2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CSC2=NC=C(N=N2)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O4S/c1-4-28-19(26)17-13(3)18(20(27)29-5-2)23-16(17)12-30-21-22-11-15(24-25-21)14-9-7-6-8-10-14/h6-11,23H,4-5,12H2,1-3H3