2-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methylthio]nicotinic acid Formula: C12H12ClN3O2S MolecularWeight: 297.76058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CSC2=C(C=CC=N2)C(=O)O)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CSC2=C(C=CC=N2)C(=O)O)Cl)C

InChI

InChI=1S/C12H12ClN3O2S/c1-7-9(10(13)16(2)15-7)6-19-11-8(12(17)18)4-3-5-14-11/h3-5H,6H2,1-2H3,(H,17,18)