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

Systemtic Name: ethyl 1-butyl-3-(hexylcarbamothioylamino)pyrazole-4-carboxylate Openeye Name: ethyl 1-butyl-3-(hexylcarbamothioylamino)pyrazole-4-carboxylate CAS Name: 1-butyl-3-[[(hexylamino)-sulfanylidenemethyl]amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-butyl-3-(hexylcarbamothioylamino)pyrazole-4-carboxylate Traditional Name: 1-butyl-3-(hexylthiocarbamoylamino)pyrazole-4-carboxylic acid ethyl ester Formula: C17H30N4O2S MolecularWeight: 354.5107

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=S)NC1=NN(C=C1C(=O)OCC)CCCC

Isomeric SMILES

CCCCCCNC(=S)NC1=NN(C=C1C(=O)OCC)CCCC

InChI

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