ethyl 3-(butylcarbamothioylamino)-1-ethyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 3-(butylcarbamothioylamino)-1-ethyl-pyrazole-4-carboxylate Openeye Name: ethyl 3-(butylcarbamothioylamino)-1-ethyl-pyrazole-4-carboxylate CAS Name: 3-[[butylamino(sulfanylidene)methyl]amino]-1-ethyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(butylcarbamothioylamino)-1-ethylpyrazole-4-carboxylate Traditional Name: 3-(butylthiocarbamoylamino)-1-ethyl-pyrazole-4-carboxylic acid ethyl ester Formula: C13H22N4O2S MolecularWeight: 298.40438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=NN(C=C1C(=O)OCC)CC

Isomeric SMILES

CCCCNC(=S)NC1=NN(C=C1C(=O)OCC)CC

InChI

InChI=1S/C13H22N4O2S/c1-4-7-8-14-13(20)15-11-10(12(18)19-6-3)9-17(5-2)16-11/h9H,4-8H2,1-3H3,(H2,14,15,16,20)