ethyl 4-(2,4-dinitrophenyl)sulfanyl-1H-imidazole-5-carboxylate

Systemtic Name: ethyl 4-(2,4-dinitrophenyl)sulfanyl-1H-imidazole-5-carboxylate Openeye Name: ethyl 4-(2,4-dinitrophenyl)sulfanyl-1H-imidazole-5-carboxylate CAS Name: 4-[(2,4-dinitrophenyl)thio]-1H-imidazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2,4-dinitrophenyl)sulfanyl-1H-imidazole-5-carboxylate Traditional Name: 4-[(2,4-dinitrophenyl)thio]-1H-imidazole-5-carboxylic acid ethyl ester Formula: C12H10N4O6S MolecularWeight: 338.296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=CN1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N=CN1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H10N4O6S/c1-2-22-12(17)10-11(14-6-13-10)23-9-4-3-7(15(18)19)5-8(9)16(20)21/h3-6H,2H2,1H3,(H,13,14)