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

Systemtic Name: 4-(2-iodanylphenyl)-4-(4-methylphenyl)sulfonyl-butanenitrile Openeye Name: 4-(2-iodophenyl)-4-(p-tolylsulfonyl)butanenitrile CAS Name: 4-(2-iodophenyl)-4-(4-methylphenyl)sulfonylbutanenitrile IUPAC Name: 4-(2-iodophenyl)-4-(4-methylphenyl)sulfonylbutanenitrile Traditional Name: 4-(2-iodophenyl)-4-tosyl-butyronitrile Formula: C17H16INO2S MolecularWeight: 425.28391

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16INO2S/c1-13-8-10-14(11-9-13)22(20,21)17(7-4-12-19)15-5-2-3-6-16(15)18/h2-3,5-6,8-11,17H,4,7H2,1H3