2-methyl-N-[(2-thiophen-2-ylethanoylamino)carbamothioyl]pyrazole-3-carboxamide

Systemtic Name: 2-methyl-N-[(2-thiophen-2-ylethanoylamino)carbamothioyl]pyrazole-3-carboxamide Openeye Name: 2-methyl-N-[[[2-(2-thienyl)acetyl]amino]carbamothioyl]pyrazole-3-carboxamide CAS Name: 2-methyl-N-[[(1-oxo-2-thiophen-2-ylethyl)hydrazo]-sulfanylidenemethyl]-3-pyrazolecarboxamide IUPAC Name: 2-methyl-N-[[(2-thiophen-2-ylacetyl)amino]carbamothioyl]pyrazole-3-carboxamide Traditional Name: 2-methyl-N-[[[2-(2-thienyl)acetyl]amino]thiocarbamoyl]pyrazole-3-carboxamide Formula: C12H13N5O2S2 MolecularWeight: 323.39392

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C(=O)NC(=S)NNC(=O)CC2=CC=CS2

Isomeric SMILES

CN1C(=CC=N1)C(=O)NC(=S)NNC(=O)CC2=CC=CS2

InChI

InChI=1S/C12H13N5O2S2/c1-17-9(4-5-13-17)11(19)14-12(20)16-15-10(18)7-8-3-2-6-21-8/h2-6H,7H2,1H3,(H,15,18)(H2,14,16,19,20)