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

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]-1-methyl-pyrazole-3-carboxamide Openeye Name: 4-[(3-chloro-4-fluoro-phenyl)carbamothioylamino]-1-methyl-pyrazole-3-carboxamide CAS Name: 4-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]-1-methyl-3-pyrazolecarboxamide IUPAC Name: 4-[(3-chloro-4-fluorophenyl)carbamothioylamino]-1-methylpyrazole-3-carboxamide Traditional Name: 4-[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]-1-methyl-pyrazole-3-carboxamide Formula: C12H11ClFN5OS MolecularWeight: 327.765043

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)N)NC(=S)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CN1C=C(C(=N1)C(=O)N)NC(=S)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C12H11ClFN5OS/c1-19-5-9(10(18-19)11(15)20)17-12(21)16-6-2-3-8(14)7(13)4-6/h2-5H,1H3,(H2,15,20)(H2,16,17,21)