methyl 4-[(E)-(tert-butylcarbamothioylhydrazinylidene)methyl]-1-methyl-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[(E)-(tert-butylcarbamothioylhydrazinylidene)methyl]-1-methyl-pyrrole-2-carboxylate Openeye Name: methyl 4-[(E)-(tert-butylcarbamothioylhydrazono)methyl]-1-methyl-pyrrole-2-carboxylate CAS Name: 4-[(E)-[[(tert-butylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]-1-methyl-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-[(E)-(tert-butylcarbamothioylhydrazinylidene)methyl]-1-methylpyrrole-2-carboxylate Traditional Name: 4-[(E)-(tert-butylthiocarbamoylhydrazono)methyl]-1-methyl-pyrrole-2-carboxylic acid methyl ester Formula: C13H20N4O2S MolecularWeight: 296.3885

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NN=CC1=CN(C(=C1)C(=O)OC)C

Isomeric SMILES

CC(C)(C)NC(=S)N/N=C/C1=CN(C(=C1)C(=O)OC)C

InChI

InChI=1S/C13H20N4O2S/c1-13(2,3)15-12(20)16-14-7-9-6-10(11(18)19-5)17(4)8-9/h6-8H,1-5H3,(H2,15,16,20)/b14-7+