4-(2-iodanylphenyl)-2-methyl-4-(4-methylphenyl)sulfonyl-butanenitrile

Systemtic Name: 4-(2-iodanylphenyl)-2-methyl-4-(4-methylphenyl)sulfonyl-butanenitrile Openeye Name: 4-(2-iodophenyl)-2-methyl-4-(p-tolylsulfonyl)butanenitrile CAS Name: 4-(2-iodophenyl)-2-methyl-4-(4-methylphenyl)sulfonylbutanenitrile IUPAC Name: 4-(2-iodophenyl)-2-methyl-4-(4-methylphenyl)sulfonylbutanenitrile Traditional Name: 4-(2-iodophenyl)-2-methyl-4-tosyl-butyronitrile Formula: C18H18INO2S MolecularWeight: 439.31049

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CC(C)C#N)C2=CC=CC=C2I

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CC(C)C#N)C2=CC=CC=C2I

InChI

InChI=1S/C18H18INO2S/c1-13-7-9-15(10-8-13)23(21,22)18(11-14(2)12-20)16-5-3-4-6-17(16)19/h3-10,14,18H,11H2,1-2H3