N-[1-(2-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl]-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide

Systemtic Name: N-[1-(2-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl]-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide Openeye Name: N-[2-(1,1-dimethylpropylamino)-1-(2-fluorophenyl)-2-oxo-ethyl]-N-(2-thienylmethyl)-1H-pyrazole-5-carboxamide CAS Name: N-[1-(2-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide IUPAC Name: N-[1-(2-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide Traditional Name: N-[2-(tert-amylamino)-1-(2-fluorophenyl)-2-keto-ethyl]-N-(2-thenyl)-1H-pyrazole-5-carboxamide Formula: C22H25FN4O2S MolecularWeight: 428.522903

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)C(C1=CC=CC=C1F)N(CC2=CC=CS2)C(=O)C3=CC=NN3

Isomeric SMILES

CCC(C)(C)NC(=O)C(C1=CC=CC=C1F)N(CC2=CC=CS2)C(=O)C3=CC=NN3

InChI

InChI=1S/C22H25FN4O2S/c1-4-22(2,3)25-20(28)19(16-9-5-6-10-17(16)23)27(14-15-8-7-13-30-15)21(29)18-11-12-24-26-18/h5-13,19H,4,14H2,1-3H3,(H,24,26)(H,25,28)