4-bromanyl-N-[(1,5-dimethylpyrazol-4-yl)carbamothioyl]-1-ethyl-pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-N-[(1,5-dimethylpyrazol-4-yl)carbamothioyl]-1-ethyl-pyrazole-3-carboxamide Openeye Name: 4-bromo-N-[(1,5-dimethylpyrazol-4-yl)carbamothioyl]-1-ethyl-pyrazole-3-carboxamide CAS Name: 4-bromo-N-[[(1,5-dimethyl-4-pyrazolyl)amino]-sulfanylidenemethyl]-1-ethyl-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-[(1,5-dimethylpyrazol-4-yl)carbamothioyl]-1-ethylpyrazole-3-carboxamide Traditional Name: 4-bromo-N-[(1,5-dimethylpyrazol-4-yl)thiocarbamoyl]-1-ethyl-pyrazole-3-carboxamide Formula: C12H15BrN6OS MolecularWeight: 371.2561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC(=S)NC2=C(N(N=C2)C)C)Br

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC(=S)NC2=C(N(N=C2)C)C)Br

InChI

InChI=1S/C12H15BrN6OS/c1-4-19-6-8(13)10(17-19)11(20)16-12(21)15-9-5-14-18(3)7(9)2/h5-6H,4H2,1-3H3,(H2,15,16,20,21)