5-(5-chloranylthiophen-2-yl)-5-methyl-2-(1,2-oxazol-3-ylmethyl)-1H-pyrazole-3-carboxylic acid

Systemtic Name: 5-(5-chloranylthiophen-2-yl)-5-methyl-2-(1,2-oxazol-3-ylmethyl)-1H-pyrazole-3-carboxylic acid Openeye Name: 5-(5-chloro-2-thienyl)-2-(isoxazol-3-ylmethyl)-5-methyl-1H-pyrazole-3-carboxylic acid CAS Name: 5-(5-chloro-2-thiophenyl)-2-(3-isoxazolylmethyl)-5-methyl-1H-pyrazole-3-carboxylic acid IUPAC Name: 5-(5-chlorothiophen-2-yl)-5-methyl-2-(1,2-oxazol-3-ylmethyl)-1H-pyrazole-3-carboxylic acid Traditional Name: 5-(5-chloro-2-thienyl)-2-(isoxazol-3-ylmethyl)-5-methyl-3-pyrazoline-3-carboxylic acid Formula: C13H12ClN3O3S MolecularWeight: 325.77068

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(N(N1)CC2=NOC=C2)C(=O)O)C3=CC=C(S3)Cl

Isomeric SMILES

CC1(C=C(N(N1)CC2=NOC=C2)C(=O)O)C3=CC=C(S3)Cl

InChI

InChI=1S/C13H12ClN3O3S/c1-13(10-2-3-11(14)21-10)6-9(12(18)19)17(16-13)7-8-4-5-20-15-8/h2-6,16H,7H2,1H3,(H,18,19)