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

Systemtic Name: 1-propyl-3-(propylcarbamothioylamino)pyrazole-4-carboxylic acid Openeye Name: 1-propyl-3-(propylcarbamothioylamino)pyrazole-4-carboxylic acid CAS Name: 1-propyl-3-[[propylamino(sulfanylidene)methyl]amino]-4-pyrazolecarboxylic acid IUPAC Name: 1-propyl-3-(propylcarbamothioylamino)pyrazole-4-carboxylic acid Traditional Name: 1-propyl-3-(propylthiocarbamoylamino)pyrazole-4-carboxylic acid Formula: C11H18N4O2S MolecularWeight: 270.35122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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