ethyl 2,4-dimethyl-5-[1-[2-[(2-nitrophenyl)carbamothioyl]hydrazinyl]ethylidene]pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[1-[2-[(2-nitrophenyl)carbamothioyl]hydrazinyl]ethylidene]pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[1-[2-[(2-nitrophenyl)carbamothioyl]hydrazino]ethylidene]pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-[[(2-nitroanilino)-sulfanylidenemethyl]hydrazo]ethylidene]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[1-[2-[(2-nitrophenyl)carbamothioyl]hydrazinyl]ethylidene]pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[1-[N'-[(2-nitrophenyl)thiocarbamoyl]hydrazino]ethylidene]pyrrole-3-carboxylic acid ethyl ester Formula: C18H21N5O4S MolecularWeight: 403.45544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(C)NNC(=S)NC2=CC=CC=C2[N+](=O)[O-])N=C1C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(C)NNC(=S)NC2=CC=CC=C2[N+](=O)[O-])N=C1C)C

InChI

InChI=1S/C18H21N5O4S/c1-5-27-17(24)15-10(2)16(19-11(15)3)12(4)21-22-18(28)20-13-8-6-7-9-14(13)23(25)26/h6-9,21H,5H2,1-4H3,(H2,20,22,28)