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

Systemtic Name: 3-(hexylcarbamothioylamino)-1-propyl-pyrazole-4-carboxylic acid Openeye Name: 3-(hexylcarbamothioylamino)-1-propyl-pyrazole-4-carboxylic acid CAS Name: 3-[[(hexylamino)-sulfanylidenemethyl]amino]-1-propyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(hexylcarbamothioylamino)-1-propylpyrazole-4-carboxylic acid Traditional Name: 3-(hexylthiocarbamoylamino)-1-propyl-pyrazole-4-carboxylic acid Formula: C14H24N4O2S MolecularWeight: 312.43096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H24N4O2S/c1-3-5-6-7-8-15-14(21)16-12-11(13(19)20)10-18(17-12)9-4-2/h10H,3-9H2,1-2H3,(H,19,20)(H2,15,16,17,21)