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

Systemtic Name: 3-(butylcarbamothioylamino)-1-ethyl-pyrazole-4-carboxylic acid Openeye Name: 3-(butylcarbamothioylamino)-1-ethyl-pyrazole-4-carboxylic acid CAS Name: 3-[[butylamino(sulfanylidene)methyl]amino]-1-ethyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(butylcarbamothioylamino)-1-ethylpyrazole-4-carboxylic acid Traditional Name: 3-(butylthiocarbamoylamino)-1-ethyl-pyrazole-4-carboxylic acid Formula: C11H18N4O2S MolecularWeight: 270.35122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18N4O2S/c1-3-5-6-12-11(18)13-9-8(10(16)17)7-15(4-2)14-9/h7H,3-6H2,1-2H3,(H,16,17)(H2,12,13,14,18)