ethyl 2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]benzimidazole-1-carboxylate

Systemtic Name: ethyl 2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]benzimidazole-1-carboxylate Openeye Name: ethyl 2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]benzimidazole-1-carboxylate CAS Name: 2-[(2-methyl-5-nitrophenyl)methylthio]-1-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-methyl-5-nitrophenyl)methylsulfanyl]benzimidazole-1-carboxylate Traditional Name: 2-[(2-methyl-5-nitro-benzyl)thio]benzimidazole-1-carboxylic acid ethyl ester Formula: C18H17N3O4S MolecularWeight: 371.41028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4S/c1-3-25-18(22)20-16-7-5-4-6-15(16)19-17(20)26-11-13-10-14(21(23)24)9-8-12(13)2/h4-10H,3,11H2,1-2H3