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

Systemtic Name: ethyl 2,4-dimethyl-5-[[2-[(2-nitrophenyl)carbamothioyl]hydrazinyl]methylidene]pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[[2-[(2-nitrophenyl)carbamothioyl]hydrazino]methylene]pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[[[(2-nitroanilino)-sulfanylidenemethyl]hydrazo]methylidene]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[[2-[(2-nitrophenyl)carbamothioyl]hydrazinyl]methylidene]pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[[N'-[(2-nitrophenyl)thiocarbamoyl]hydrazino]methylene]pyrrole-3-carboxylic acid ethyl ester Formula: C17H19N5O4S MolecularWeight: 389.42886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O4S/c1-4-26-16(23)15-10(2)13(19-11(15)3)9-18-21-17(27)20-12-7-5-6-8-14(12)22(24)25/h5-9,18H,4H2,1-3H3,(H2,20,21,27)