4-bromanyl-1-ethyl-N-[(2-iodanylphenyl)carbamothioyl]pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-1-ethyl-N-[(2-iodanylphenyl)carbamothioyl]pyrazole-3-carboxamide Openeye Name: 4-bromo-1-ethyl-N-[(2-iodophenyl)carbamothioyl]pyrazole-3-carboxamide CAS Name: 4-bromo-1-ethyl-N-[(2-iodoanilino)-sulfanylidenemethyl]-3-pyrazolecarboxamide IUPAC Name: 4-bromo-1-ethyl-N-[(2-iodophenyl)carbamothioyl]pyrazole-3-carboxamide Traditional Name: 4-bromo-1-ethyl-N-[(2-iodophenyl)thiocarbamoyl]pyrazole-3-carboxamide Formula: C13H12BrIN4OS MolecularWeight: 479.13405

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC(=S)NC2=CC=CC=C2I)Br

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC(=S)NC2=CC=CC=C2I)Br

InChI

InChI=1S/C13H12BrIN4OS/c1-2-19-7-8(14)11(18-19)12(20)17-13(21)16-10-6-4-3-5-9(10)15/h3-7H,2H2,1H3,(H2,16,17,20,21)