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

Systemtic Name: 5-(5-chloranylthiophen-2-yl)-4-cyano-2-(1,2-oxazol-3-ylmethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxylic acid Openeye Name: 5-(5-chloro-2-thienyl)-4-cyano-2-(isoxazol-3-ylmethyl)-5-(2-thienyl)-1H-pyrazole-3-carboxylic acid CAS Name: 5-(5-chloro-2-thiophenyl)-4-cyano-2-(3-isoxazolylmethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxylic acid IUPAC Name: 5-(5-chlorothiophen-2-yl)-4-cyano-2-(1,2-oxazol-3-ylmethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxylic acid Traditional Name: 5-(5-chloro-2-thienyl)-4-cyano-2-(isoxazol-3-ylmethyl)-5-(2-thienyl)-3-pyrazoline-3-carboxylic acid Formula: C17H11ClN4O3S2 MolecularWeight: 418.87724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2(C(=C(N(N2)CC3=NOC=C3)C(=O)O)C#N)C4=CC=C(S4)Cl

Isomeric SMILES

C1=CSC(=C1)C2(C(=C(N(N2)CC3=NOC=C3)C(=O)O)C#N)C4=CC=C(S4)Cl

InChI

InChI=1S/C17H11ClN4O3S2/c18-14-4-3-13(27-14)17(12-2-1-7-26-12)11(8-19)15(16(23)24)22(21-17)9-10-5-6-25-20-10/h1-7,21H,9H2,(H,23,24)