4-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]-2-ethyl-pyrazole-3-carboxamide

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]-2-ethyl-pyrazole-3-carboxamide Openeye Name: 4-[(3-chloro-4-fluoro-phenyl)carbamothioylamino]-2-ethyl-pyrazole-3-carboxamide CAS Name: 4-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]-2-ethyl-3-pyrazolecarboxamide IUPAC Name: 4-[(3-chloro-4-fluorophenyl)carbamothioylamino]-2-ethylpyrazole-3-carboxamide Traditional Name: 4-[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]-2-ethyl-pyrazole-3-carboxamide Formula: C13H13ClFN5OS MolecularWeight: 341.791623

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)NC(=S)NC2=CC(=C(C=C2)F)Cl)C(=O)N

Isomeric SMILES

CCN1C(=C(C=N1)NC(=S)NC2=CC(=C(C=C2)F)Cl)C(=O)N

InChI

InChI=1S/C13H13ClFN5OS/c1-2-20-11(12(16)21)10(6-17-20)19-13(22)18-7-3-4-9(15)8(14)5-7/h3-6H,2H2,1H3,(H2,16,21)(H2,18,19,22)