2-(4-methylphthalazin-1-yl)sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-(4-methylphthalazin-1-yl)sulfanylpyridine-3-carboxylic acid Openeye Name: 2-(4-methylphthalazin-1-yl)sulfanylpyridine-3-carboxylic acid CAS Name: 2-[(4-methyl-1-phthalazinyl)thio]-3-pyridinecarboxylic acid IUPAC Name: 2-(4-methylphthalazin-1-yl)sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[(4-methylphthalazin-1-yl)thio]nicotinic acid Formula: C15H11N3O2S MolecularWeight: 297.33174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C2=CC=CC=C12)SC3=C(C=CC=N3)C(=O)O

Isomeric SMILES

CC1=NN=C(C2=CC=CC=C12)SC3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C15H11N3O2S/c1-9-10-5-2-3-6-11(10)14(18-17-9)21-13-12(15(19)20)7-4-8-16-13/h2-8H,1H3,(H,19,20)