3-[1-[(1-ethyl-5-methylsulfonyl-benzimidazol-2-yl)methyl]imidazol-2-yl]benzenecarbonitrile

Systemtic Name: 3-[1-[(1-ethyl-5-methylsulfonyl-benzimidazol-2-yl)methyl]imidazol-2-yl]benzenecarbonitrile Openeye Name: 3-[1-[(1-ethyl-5-methylsulfonyl-benzimidazol-2-yl)methyl]imidazol-2-yl]benzonitrile CAS Name: 3-[1-[(1-ethyl-5-methylsulfonyl-2-benzimidazolyl)methyl]-2-imidazolyl]benzonitrile IUPAC Name: 3-[1-[(1-ethyl-5-methylsulfonylbenzimidazol-2-yl)methyl]imidazol-2-yl]benzonitrile Traditional Name: 3-[1-[(1-ethyl-5-mesyl-benzimidazol-2-yl)methyl]imidazol-2-yl]benzonitrile Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)C)N=C1CN3C=CN=C3C4=CC=CC(=C4)C#N

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)C)N=C1CN3C=CN=C3C4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H19N5O2S/c1-3-26-19-8-7-17(29(2,27)28)12-18(19)24-20(26)14-25-10-9-23-21(25)16-6-4-5-15(11-16)13-22/h4-12H,3,14H2,1-2H3