4-[(3-methylimidazol-4-yl)-[(4-methylsulfonylphenyl)methoxy]methyl]-2-(2-methylphenyl)benzenecarbonitrile

Systemtic Name: 4-[(3-methylimidazol-4-yl)-[(4-methylsulfonylphenyl)methoxy]methyl]-2-(2-methylphenyl)benzenecarbonitrile Openeye Name: 4-[(3-methylimidazol-4-yl)-[(4-methylsulfonylphenyl)methoxy]methyl]-2-(o-tolyl)benzonitrile CAS Name: 4-[(3-methyl-4-imidazolyl)-[(4-methylsulfonylphenyl)methoxy]methyl]-2-(2-methylphenyl)benzonitrile IUPAC Name: 4-[(3-methylimidazol-4-yl)-[(4-methylsulfonylphenyl)methoxy]methyl]-2-(2-methylphenyl)benzonitrile Traditional Name: 4-[(4-mesylbenzyl)oxy-(3-methylimidazol-4-yl)methyl]-2-(o-tolyl)benzonitrile Formula: C27H25N3O3S MolecularWeight: 471.5707

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)C(C3=CN=CN3C)OCC4=CC=C(C=C4)S(=O)(=O)C)C#N

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)C(C3=CN=CN3C)OCC4=CC=C(C=C4)S(=O)(=O)C)C#N

InChI

InChI=1S/C27H25N3O3S/c1-19-6-4-5-7-24(19)25-14-21(10-11-22(25)15-28)27(26-16-29-18-30(26)2)33-17-20-8-12-23(13-9-20)34(3,31)32/h4-14,16,18,27H,17H2,1-3H3