3-(cyclohexylcarbamothioylamino)-1-ethyl-pyrazole-4-carboxylic acid

Systemtic Name: 3-(cyclohexylcarbamothioylamino)-1-ethyl-pyrazole-4-carboxylic acid Openeye Name: 3-(cyclohexylcarbamothioylamino)-1-ethyl-pyrazole-4-carboxylic acid CAS Name: 3-[[(cyclohexylamino)-sulfanylidenemethyl]amino]-1-ethyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(cyclohexylcarbamothioylamino)-1-ethylpyrazole-4-carboxylic acid Traditional Name: 3-(cyclohexylthiocarbamoylamino)-1-ethyl-pyrazole-4-carboxylic acid Formula: C13H20N4O2S MolecularWeight: 296.3885

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)NC(=S)NC2CCCCC2)C(=O)O

Isomeric SMILES

CCN1C=C(C(=N1)NC(=S)NC2CCCCC2)C(=O)O

InChI

InChI=1S/C13H20N4O2S/c1-2-17-8-10(12(18)19)11(16-17)15-13(20)14-9-6-4-3-5-7-9/h8-9H,2-7H2,1H3,(H,18,19)(H2,14,15,16,20)