1-[[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]methyl]-4-cyano-5-propyl-pyrazole-3-carboxylic acid

Systemtic Name: 1-[[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]methyl]-4-cyano-5-propyl-pyrazole-3-carboxylic acid Openeye Name: 1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]-4-cyano-5-propyl-pyrazole-3-carboxylic acid CAS Name: 1-[[5-(5-chloro-2-thiophenyl)-3-isoxazolyl]methyl]-4-cyano-5-propyl-3-pyrazolecarboxylic acid IUPAC Name: 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-4-cyano-5-propylpyrazole-3-carboxylic acid Traditional Name: 1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]-4-cyano-5-propyl-pyrazole-3-carboxylic acid Formula: C16H13ClN4O3S MolecularWeight: 376.81742

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1CC2=NOC(=C2)C3=CC=C(S3)Cl)C(=O)O)C#N

Isomeric SMILES

CCCC1=C(C(=NN1CC2=NOC(=C2)C3=CC=C(S3)Cl)C(=O)O)C#N

InChI

InChI=1S/C16H13ClN4O3S/c1-2-3-11-10(7-18)15(16(22)23)19-21(11)8-9-6-12(24-20-9)13-4-5-14(17)25-13/h4-6H,2-3,8H2,1H3,(H,22,23)