4-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]-1-ethyl-pyrazole-3-carboxamide

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]-1-ethyl-pyrazole-3-carboxamide Openeye Name: 4-[(3-chloro-4-fluoro-phenyl)carbamothioylamino]-1-ethyl-pyrazole-3-carboxamide CAS Name: 4-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]-1-ethyl-3-pyrazolecarboxamide IUPAC Name: 4-[(3-chloro-4-fluorophenyl)carbamothioylamino]-1-ethylpyrazole-3-carboxamide Traditional Name: 4-[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]-1-ethyl-pyrazole-3-carboxamide Formula: C13H13ClFN5OS MolecularWeight: 341.791623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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