4-bromanyl-N-[(2-iodanylphenyl)carbamothioyl]-2,5-dimethyl-pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-N-[(2-iodanylphenyl)carbamothioyl]-2,5-dimethyl-pyrazole-3-carboxamide Openeye Name: 4-bromo-N-[(2-iodophenyl)carbamothioyl]-2,5-dimethyl-pyrazole-3-carboxamide CAS Name: 4-bromo-N-[(2-iodoanilino)-sulfanylidenemethyl]-2,5-dimethyl-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-[(2-iodophenyl)carbamothioyl]-2,5-dimethylpyrazole-3-carboxamide Traditional Name: 4-bromo-N-[(2-iodophenyl)thiocarbamoyl]-2,5-dimethyl-pyrazole-3-carboxamide Formula: C13H12BrIN4OS MolecularWeight: 479.13405

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1Br)C(=O)NC(=S)NC2=CC=CC=C2I)C

Isomeric SMILES

CC1=NN(C(=C1Br)C(=O)NC(=S)NC2=CC=CC=C2I)C

InChI

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