ethyl 1-butyl-3-(propylcarbamothioylamino)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-butyl-3-(propylcarbamothioylamino)pyrazole-4-carboxylate Openeye Name: ethyl 1-butyl-3-(propylcarbamothioylamino)pyrazole-4-carboxylate CAS Name: 1-butyl-3-[[propylamino(sulfanylidene)methyl]amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-butyl-3-(propylcarbamothioylamino)pyrazole-4-carboxylate Traditional Name: 1-butyl-3-(propylthiocarbamoylamino)pyrazole-4-carboxylic acid ethyl ester Formula: C14H24N4O2S MolecularWeight: 312.43096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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