ethyl 1-ethyl-2-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[3-nitro-4-(p-tolylsulfanyl)phenyl]benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[4-[(4-methylphenyl)thio]-3-nitrophenyl]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]benzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[3-nitro-4-(p-tolylthio)phenyl]benzimidazole-5-carboxylic acid ethyl ester Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1C3=CC(=C(C=C3)SC4=CC=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1C3=CC(=C(C=C3)SC4=CC=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C25H23N3O4S/c1-4-27-21-12-8-18(25(29)32-5-2)14-20(21)26-24(27)17-9-13-23(22(15-17)28(30)31)33-19-10-6-16(3)7-11-19/h6-15H,4-5H2,1-3H3