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

Systemtic Name: ethyl 5-[[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]methylidene]-2,4-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 5-[[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazino]methylene]-2,4-dimethyl-pyrrole-3-carboxylate CAS Name: 5-[[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]hydrazo]methylidene]-2,4-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]methylidene]-2,4-dimethylpyrrole-3-carboxylate Traditional Name: 5-[[N'-[(4-fluorobenzyl)thiocarbamoyl]hydrazino]methylene]-2,4-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C18H21FN4O2S MolecularWeight: 376.448343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CNNC(=S)NCC2=CC=C(C=C2)F)N=C1C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=CNNC(=S)NCC2=CC=C(C=C2)F)N=C1C)C

InChI

InChI=1S/C18H21FN4O2S/c1-4-25-17(24)16-11(2)15(22-12(16)3)10-21-23-18(26)20-9-13-5-7-14(19)8-6-13/h5-8,10,21H,4,9H2,1-3H3,(H2,20,23,26)