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

Systemtic Name: 1-butyl-3-(hexylcarbamothioylamino)pyrazole-4-carboxylic acid Openeye Name: 1-butyl-3-(hexylcarbamothioylamino)pyrazole-4-carboxylic acid CAS Name: 1-butyl-3-[[(hexylamino)-sulfanylidenemethyl]amino]-4-pyrazolecarboxylic acid IUPAC Name: 1-butyl-3-(hexylcarbamothioylamino)pyrazole-4-carboxylic acid Traditional Name: 1-butyl-3-(hexylthiocarbamoylamino)pyrazole-4-carboxylic acid Formula: C15H26N4O2S MolecularWeight: 326.45754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H26N4O2S/c1-3-5-7-8-9-16-15(22)17-13-12(14(20)21)11-19(18-13)10-6-4-2/h11H,3-10H2,1-2H3,(H,20,21)(H2,16,17,18,22)