ethyl 2-[(6-imidazol-1-yl-1H-benzimidazol-2-yl)methylsulfanyl]benzoate

Systemtic Name: ethyl 2-[(6-imidazol-1-yl-1H-benzimidazol-2-yl)methylsulfanyl]benzoate Openeye Name: ethyl 2-[(6-imidazol-1-yl-1H-benzimidazol-2-yl)methylsulfanyl]benzoate CAS Name: 2-[[6-(1-imidazolyl)-1H-benzimidazol-2-yl]methylthio]benzoic acid ethyl ester IUPAC Name: ethyl 2-[(6-imidazol-1-yl-1H-benzimidazol-2-yl)methylsulfanyl]benzoate Traditional Name: 2-[(6-imidazol-1-yl-1H-benzimidazol-2-yl)methylthio]benzoic acid ethyl ester Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1SCC2=NC3=C(N2)C=C(C=C3)N4C=CN=C4

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1SCC2=NC3=C(N2)C=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C20H18N4O2S/c1-2-26-20(25)15-5-3-4-6-18(15)27-12-19-22-16-8-7-14(11-17(16)23-19)24-10-9-21-13-24/h3-11,13H,2,12H2,1H3,(H,22,23)