5-methylsulfonyl-2,4-di(propan-2-yl)benzenecarbonitrile

Systemtic Name: 5-methylsulfonyl-2,4-di(propan-2-yl)benzenecarbonitrile Openeye Name: 2,4-diisopropyl-5-methylsulfonyl-benzonitrile CAS Name: 5-methylsulfonyl-2,4-di(propan-2-yl)benzonitrile IUPAC Name: 5-methylsulfonyl-2,4-di(propan-2-yl)benzonitrile Traditional Name: 2,4-diisopropyl-5-mesyl-benzonitrile Formula: C14H19NO2S MolecularWeight: 265.37116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1C#N)S(=O)(=O)C)C(C)C

Isomeric SMILES

CC(C)C1=CC(=C(C=C1C#N)S(=O)(=O)C)C(C)C

InChI

InChI=1S/C14H19NO2S/c1-9(2)12-7-13(10(3)4)14(18(5,16)17)6-11(12)8-15/h6-7,9-10H,1-5H3