ethyl 1-carbamothioyl-5-ethyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-carbamothioyl-5-ethyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-carbamothioyl-5-ethyl-pyrazole-4-carboxylate CAS Name: 1-carbamothioyl-5-ethyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-carbamothioyl-5-ethylpyrazole-4-carboxylate Traditional Name: 5-ethyl-1-thiocarbamoyl-pyrazole-4-carboxylic acid ethyl ester Formula: C9H13N3O2S MolecularWeight: 227.28342

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C(=S)N)C(=O)OCC

Isomeric SMILES

CCC1=C(C=NN1C(=S)N)C(=O)OCC

InChI

InChI=1S/C9H13N3O2S/c1-3-7-6(8(13)14-4-2)5-11-12(7)9(10)15/h5H,3-4H2,1-2H3,(H2,10,15)