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

Systemtic Name: 5-(5-chloranylthiophen-2-yl)-2-(1,2-oxazol-3-ylmethyl)-5-propyl-1H-pyrazole-3-carboxylic acid Openeye Name: 5-(5-chloro-2-thienyl)-2-(isoxazol-3-ylmethyl)-5-propyl-1H-pyrazole-3-carboxylic acid CAS Name: 5-(5-chloro-2-thiophenyl)-2-(3-isoxazolylmethyl)-5-propyl-1H-pyrazole-3-carboxylic acid IUPAC Name: 5-(5-chlorothiophen-2-yl)-2-(1,2-oxazol-3-ylmethyl)-5-propyl-1H-pyrazole-3-carboxylic acid Traditional Name: 5-(5-chloro-2-thienyl)-2-(isoxazol-3-ylmethyl)-5-propyl-3-pyrazoline-3-carboxylic acid Formula: C15H16ClN3O3S MolecularWeight: 353.82384

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C=C(N(N1)CC2=NOC=C2)C(=O)O)C3=CC=C(S3)Cl

Isomeric SMILES

CCCC1(C=C(N(N1)CC2=NOC=C2)C(=O)O)C3=CC=C(S3)Cl

InChI

InChI=1S/C15H16ClN3O3S/c1-2-6-15(12-3-4-13(16)23-12)8-11(14(20)21)19(18-15)9-10-5-7-22-17-10/h3-5,7-8,18H,2,6,9H2,1H3,(H,20,21)