ethyl 2-[(4-nitrophenyl)methylsulfanyl]benzimidazole-1-carboxylate

Systemtic Name: ethyl 2-[(4-nitrophenyl)methylsulfanyl]benzimidazole-1-carboxylate Openeye Name: ethyl 2-[(4-nitrophenyl)methylsulfanyl]benzimidazole-1-carboxylate CAS Name: 2-[(4-nitrophenyl)methylthio]-1-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-nitrophenyl)methylsulfanyl]benzimidazole-1-carboxylate Traditional Name: 2-[(4-nitrobenzyl)thio]benzimidazole-1-carboxylic acid ethyl ester Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O4S/c1-2-24-17(21)19-15-6-4-3-5-14(15)18-16(19)25-11-12-7-9-13(10-8-12)20(22)23/h3-10H,2,11H2,1H3