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

Systemtic Name: 1-butyl-3-(propylcarbamothioylamino)pyrazole-4-carboxylic acid Openeye Name: 1-butyl-3-(propylcarbamothioylamino)pyrazole-4-carboxylic acid CAS Name: 1-butyl-3-[[propylamino(sulfanylidene)methyl]amino]-4-pyrazolecarboxylic acid IUPAC Name: 1-butyl-3-(propylcarbamothioylamino)pyrazole-4-carboxylic acid Traditional Name: 1-butyl-3-(propylthiocarbamoylamino)pyrazole-4-carboxylic acid Formula: C12H20N4O2S MolecularWeight: 284.3778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C(=N1)NC(=S)NCCC)C(=O)O

Isomeric SMILES

CCCCN1C=C(C(=N1)NC(=S)NCCC)C(=O)O

InChI

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