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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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