[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylate CAS Name: 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate Traditional Name: 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C20H13ClN2O3S2 MolecularWeight: 428.91182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)C4=CC=C(S4)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C20H13ClN2O3S2/c21-19-9-8-18(28-19)16(24)12-26-20(25)15-11-14(17-7-4-10-27-17)22-23(15)13-5-2-1-3-6-13/h1-11H,12H2