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

Systemtic Name: ethyl 2,4-dimethyl-5-[[2-[(phenylmethyl)carbamothioyl]hydrazinyl]methylidene]pyrrole-3-carboxylate Openeye Name: ethyl 5-[[2-(benzylcarbamothioyl)hydrazino]methylene]-2,4-dimethyl-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[[[[(phenylmethyl)amino]-sulfanylidenemethyl]hydrazo]methylidene]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(benzylcarbamothioyl)hydrazinyl]methylidene]-2,4-dimethylpyrrole-3-carboxylate Traditional Name: 5-[[N'-(benzylthiocarbamoyl)hydrazino]methylene]-2,4-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O2S/c1-4-24-17(23)16-12(2)15(21-13(16)3)11-20-22-18(25)19-10-14-8-6-5-7-9-14/h5-9,11,20H,4,10H2,1-3H3,(H2,19,22,25)