2-chloranyl-6-fluoranyl-N-[2-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]benzamide

Systemtic Name: 2-chloranyl-6-fluoranyl-N-[2-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]benzamide Openeye Name: 2-chloro-6-fluoro-N-[2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]benzamide CAS Name: 2-chloro-6-fluoro-N-[2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)-5-thiophen-2-yl-3-pyrazolyl]benzamide IUPAC Name: 2-chloro-6-fluoro-N-[2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)-5-thiophen-2-ylpyrazol-3-yl]benzamide Traditional Name: 2-chloro-6-fluoro-N-[2-(4-keto-6-propyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]benzamide Formula: C21H17ClFN5O2S MolecularWeight: 457.908383

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)C4=C(C=CC=C4Cl)F

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)C4=C(C=CC=C4Cl)F

InChI

InChI=1S/C21H17ClFN5O2S/c1-2-5-12-10-18(29)26-21(24-12)28-17(11-15(27-28)16-8-4-9-31-16)25-20(30)19-13(22)6-3-7-14(19)23/h3-4,6-11H,2,5H2,1H3,(H,25,30)(H,24,26,29)