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

Systemtic Name: 4-bromanyl-N-[(2-bromophenyl)carbamothioyl]-1-ethyl-pyrazole-3-carboxamide Openeye Name: 4-bromo-N-[(2-bromophenyl)carbamothioyl]-1-ethyl-pyrazole-3-carboxamide CAS Name: 4-bromo-N-[(2-bromoanilino)-sulfanylidenemethyl]-1-ethyl-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-[(2-bromophenyl)carbamothioyl]-1-ethylpyrazole-3-carboxamide Traditional Name: 4-bromo-N-[(2-bromophenyl)thiocarbamoyl]-1-ethyl-pyrazole-3-carboxamide Formula: C13H12Br2N4OS MolecularWeight: 432.13358

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC(=S)NC2=CC=CC=C2Br)Br

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC(=S)NC2=CC=CC=C2Br)Br

InChI

InChI=1S/C13H12Br2N4OS/c1-2-19-7-9(15)11(18-19)12(20)17-13(21)16-10-6-4-3-5-8(10)14/h3-7H,2H2,1H3,(H2,16,17,20,21)