4-[(2-fluorophenyl)carbamothioylamino]-1-methyl-pyrazole-3-carboxamide

Systemtic Name: 4-[(2-fluorophenyl)carbamothioylamino]-1-methyl-pyrazole-3-carboxamide Openeye Name: 4-[(2-fluorophenyl)carbamothioylamino]-1-methyl-pyrazole-3-carboxamide CAS Name: 4-[[(2-fluoroanilino)-sulfanylidenemethyl]amino]-1-methyl-3-pyrazolecarboxamide IUPAC Name: 4-[(2-fluorophenyl)carbamothioylamino]-1-methylpyrazole-3-carboxamide Traditional Name: 4-[(2-fluorophenyl)thiocarbamoylamino]-1-methyl-pyrazole-3-carboxamide Formula: C12H12FN5OS MolecularWeight: 293.319983

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)N)NC(=S)NC2=CC=CC=C2F

Isomeric SMILES

CN1C=C(C(=N1)C(=O)N)NC(=S)NC2=CC=CC=C2F

InChI

InChI=1S/C12H12FN5OS/c1-18-6-9(10(17-18)11(14)19)16-12(20)15-8-5-3-2-4-7(8)13/h2-6H,1H3,(H2,14,19)(H2,15,16,20)