[4-(prop-2-enylcarbamothioylamino)pyrazol-1-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [4-(prop-2-enylcarbamothioylamino)pyrazol-1-yl]methyl 2,2-dimethylpropanoate Openeye Name: [4-(allylcarbamothioylamino)pyrazol-1-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]-1-pyrazolyl]methyl ester IUPAC Name: [4-(prop-2-enylcarbamothioylamino)pyrazol-1-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-(allylthiocarbamoylamino)pyrazol-1-yl]methyl ester Formula: C13H20N4O2S MolecularWeight: 296.3885

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C=C(C=N1)NC(=S)NCC=C

Isomeric SMILES

CC(C)(C)C(=O)OCN1C=C(C=N1)NC(=S)NCC=C

InChI

InChI=1S/C13H20N4O2S/c1-5-6-14-12(20)16-10-7-15-17(8-10)9-19-11(18)13(2,3)4/h5,7-8H,1,6,9H2,2-4H3,(H2,14,16,20)