ethyl 2-(2,4-dinitrophenyl)sulfanylbenzimidazole-1-carboxylate

Systemtic Name: ethyl 2-(2,4-dinitrophenyl)sulfanylbenzimidazole-1-carboxylate Openeye Name: ethyl 2-(2,4-dinitrophenyl)sulfanylbenzimidazole-1-carboxylate CAS Name: 2-[(2,4-dinitrophenyl)thio]-1-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2,4-dinitrophenyl)sulfanylbenzimidazole-1-carboxylate Traditional Name: 2-[(2,4-dinitrophenyl)thio]benzimidazole-1-carboxylic acid ethyl ester Formula: C16H12N4O6S MolecularWeight: 388.35468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2=CC=CC=C2N=C1SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1C2=CC=CC=C2N=C1SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O6S/c1-2-26-16(21)18-12-6-4-3-5-11(12)17-15(18)27-14-8-7-10(19(22)23)9-13(14)20(24)25/h3-9H,2H2,1H3