1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-(p-tolylsulfanyl)pyridazin-3-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-[(4-methylphenyl)thio]-3-pyridazinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-(p-tolylthio)pyridazin-3-yl]isonipecotic acid Formula: C17H19N3O2S MolecularWeight: 329.41666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NN=C(C=C2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NN=C(C=C2)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C17H19N3O2S/c1-12-2-4-14(5-3-12)23-16-7-6-15(18-19-16)20-10-8-13(9-11-20)17(21)22/h2-7,13H,8-11H2,1H3,(H,21,22)