ethyl 1-butyl-3-[propyl(propylcarbamothioyl)amino]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-butyl-3-[propyl(propylcarbamothioyl)amino]pyrazole-4-carboxylate Openeye Name: ethyl 1-butyl-3-[propyl(propylcarbamothioyl)amino]pyrazole-4-carboxylate CAS Name: 1-butyl-3-[propyl-[propylamino(sulfanylidene)methyl]amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-butyl-3-[propyl(propylcarbamothioyl)amino]pyrazole-4-carboxylate Traditional Name: 1-butyl-3-[propyl(propylthiocarbamoyl)amino]pyrazole-4-carboxylic acid ethyl ester Formula: C17H30N4O2S MolecularWeight: 354.5107

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C(=N1)N(CCC)C(=S)NCCC)C(=O)OCC

Isomeric SMILES

CCCCN1C=C(C(=N1)N(CCC)C(=S)NCCC)C(=O)OCC

InChI

InChI=1S/C17H30N4O2S/c1-5-9-12-20-13-14(16(22)23-8-4)15(19-20)21(11-7-3)17(24)18-10-6-2/h13H,5-12H2,1-4H3,(H,18,24)