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

Systemtic Name: 3-(butylcarbamothioylamino)-1-propyl-pyrazole-4-carboxylic acid Openeye Name: 3-(butylcarbamothioylamino)-1-propyl-pyrazole-4-carboxylic acid CAS Name: 3-[[butylamino(sulfanylidene)methyl]amino]-1-propyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(butylcarbamothioylamino)-1-propylpyrazole-4-carboxylic acid Traditional Name: 3-(butylthiocarbamoylamino)-1-propyl-pyrazole-4-carboxylic acid Formula: C12H20N4O2S MolecularWeight: 284.3778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N4O2S/c1-3-5-6-13-12(19)14-10-9(11(17)18)8-16(15-10)7-4-2/h8H,3-7H2,1-2H3,(H,17,18)(H2,13,14,15,19)