ethyl 5-(tert-butylcarbamothioylamino)-1-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-(tert-butylcarbamothioylamino)-1-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-(tert-butylcarbamothioylamino)-1-methyl-pyrazole-4-carboxylate CAS Name: 5-[[(tert-butylamino)-sulfanylidenemethyl]amino]-1-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(tert-butylcarbamothioylamino)-1-methylpyrazole-4-carboxylate Traditional Name: 5-(tert-butylthiocarbamoylamino)-1-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C12H20N4O2S MolecularWeight: 284.3778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C)NC(=S)NC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C)NC(=S)NC(C)(C)C

InChI

InChI=1S/C12H20N4O2S/c1-6-18-10(17)8-7-13-16(5)9(8)14-11(19)15-12(2,3)4/h7H,6H2,1-5H3,(H2,14,15,19)