3-methyl-2-(4-methylsulfanylphenyl)-1,5-dihydropyridazine-6,6-dicarboxylic acid

Systemtic Name: 3-methyl-2-(4-methylsulfanylphenyl)-1,5-dihydropyridazine-6,6-dicarboxylic acid Openeye Name: 3-methyl-2-(4-methylsulfanylphenyl)-1,5-dihydropyridazine-6,6-dicarboxylic acid CAS Name: 3-methyl-2-[4-(methylthio)phenyl]-1,5-dihydropyridazine-6,6-dicarboxylic acid IUPAC Name: 3-methyl-2-(4-methylsulfanylphenyl)-1,5-dihydropyridazine-6,6-dicarboxylic acid Traditional Name: 3-methyl-2-[4-(methylthio)phenyl]-1,5-dihydropyridazine-6,6-dicarboxylic acid Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(NN1C2=CC=C(C=C2)SC)(C(=O)O)C(=O)O

Isomeric SMILES

CC1=CCC(NN1C2=CC=C(C=C2)SC)(C(=O)O)C(=O)O

InChI

InChI=1S/C14H16N2O4S/c1-9-7-8-14(12(17)18,13(19)20)15-16(9)10-3-5-11(21-2)6-4-10/h3-7,15H,8H2,1-2H3,(H,17,18)(H,19,20)