[2-[[3,4-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate

Systemtic Name: [2-[[3,4-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate Openeye Name: [2-(3,4-difluoroanilino)-2-oxo-ethyl] 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylate CAS Name: 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [2-(3,4-difluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-difluoroanilino)-2-oxoethyl] 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate Traditional Name: 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylic acid [2-(3,4-difluoroanilino)-2-keto-ethyl] ester Formula: C22H15F2N3O3S MolecularWeight: 439.434606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)NC4=CC(=C(C=C4)F)F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)NC4=CC(=C(C=C4)F)F

InChI

InChI=1S/C22H15F2N3O3S/c23-16-9-8-14(11-17(16)24)25-21(28)13-30-22(29)19-12-18(20-7-4-10-31-20)26-27(19)15-5-2-1-3-6-15/h1-12H,13H2,(H,25,28)