ethyl 2,4-dimethyl-5-[[2-(3-methylbutylcarbamothioyl)hydrazinyl]methylidene]pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[[2-(3-methylbutylcarbamothioyl)hydrazinyl]methylidene]pyrrole-3-carboxylate Openeye Name: ethyl 5-[[2-(isopentylcarbamothioyl)hydrazino]methylene]-2,4-dimethyl-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[[[(3-methylbutylamino)-sulfanylidenemethyl]hydrazo]methylidene]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[[2-(3-methylbutylcarbamothioyl)hydrazinyl]methylidene]pyrrole-3-carboxylate Traditional Name: 5-[[N'-(isoamylthiocarbamoyl)hydrazino]methylene]-2,4-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C16H26N4O2S MolecularWeight: 338.46824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CNNC(=S)NCCC(C)C)N=C1C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=CNNC(=S)NCCC(C)C)N=C1C)C

InChI

InChI=1S/C16H26N4O2S/c1-6-22-15(21)14-11(4)13(19-12(14)5)9-18-20-16(23)17-8-7-10(2)3/h9-10,18H,6-8H2,1-5H3,(H2,17,20,23)