5-(5-chloranylthiophen-2-yl)-4-cyano-1-(1,2-oxazol-3-ylmethyl)pyrazole-3-carboxylic acid

Systemtic Name: 5-(5-chloranylthiophen-2-yl)-4-cyano-1-(1,2-oxazol-3-ylmethyl)pyrazole-3-carboxylic acid Openeye Name: 5-(5-chloro-2-thienyl)-4-cyano-1-(isoxazol-3-ylmethyl)pyrazole-3-carboxylic acid CAS Name: 5-(5-chloro-2-thiophenyl)-4-cyano-1-(3-isoxazolylmethyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-(5-chlorothiophen-2-yl)-4-cyano-1-(1,2-oxazol-3-ylmethyl)pyrazole-3-carboxylic acid Traditional Name: 5-(5-chloro-2-thienyl)-4-cyano-1-(isoxazol-3-ylmethyl)pyrazole-3-carboxylic acid Formula: C13H7ClN4O3S MolecularWeight: 334.73768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CON=C1CN2C(=C(C(=N2)C(=O)O)C#N)C3=CC=C(S3)Cl

Isomeric SMILES

C1=CON=C1CN2C(=C(C(=N2)C(=O)O)C#N)C3=CC=C(S3)Cl

InChI

InChI=1S/C13H7ClN4O3S/c14-10-2-1-9(22-10)12-8(5-15)11(13(19)20)16-18(12)6-7-3-4-21-17-7/h1-4H,6H2,(H,19,20)