1-methyl-5-(pyridin-4-ylmethylsulfanyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-methyl-5-(pyridin-4-ylmethylsulfanyl)pyrazole-4-carboxylic acid Openeye Name: 1-methyl-5-(4-pyridylmethylsulfanyl)pyrazole-4-carboxylic acid CAS Name: 1-methyl-5-(pyridin-4-ylmethylthio)-4-pyrazolecarboxylic acid IUPAC Name: 1-methyl-5-(pyridin-4-ylmethylsulfanyl)pyrazole-4-carboxylic acid Traditional Name: 1-methyl-5-(4-pyridylmethylthio)pyrazole-4-carboxylic acid Formula: C11H11N3O2S MolecularWeight: 249.28894

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)O)SCC2=CC=NC=C2

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O)SCC2=CC=NC=C2

InChI

InChI=1S/C11H11N3O2S/c1-14-10(9(6-13-14)11(15)16)17-7-8-2-4-12-5-3-8/h2-6H,7H2,1H3,(H,15,16)