2,2-dimethyl-3-[methyl(sulfino)amino]butane; 2-(5-methyl-2-propyl-phenyl)ethanenitrile

Systemtic Name: 2,2-dimethyl-3-[methyl(sulfino)amino]butane; 2-(5-methyl-2-propyl-phenyl)ethanenitrile Openeye Name: 2,2-dimethyl-3-[methyl(sulfino)amino]butane; 2-(5-methyl-2-propyl-phenyl)acetonitrile CAS Name: 2,2-dimethyl-3-[methyl(sulfino)amino]butane; 2-(5-methyl-2-propylphenyl)acetonitrile IUPAC Name: 2,2-dimethyl-3-[methyl(sulfino)amino]butane; 2-(5-methyl-2-propylphenyl)acetonitrile Traditional Name: 2,2-dimethyl-3-[methyl(sulfino)amino]butane; 2-(5-methyl-2-propyl-phenyl)acetonitrile Formula: C19H32N2O2S MolecularWeight: 352.53458

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C=C1)C)CC#N.CC(C(C)(C)C)N(C)S(=O)O

Isomeric SMILES

CCCC1=C(C=C(C=C1)C)CC#N.CC(C(C)(C)C)N(C)S(=O)O

InChI

InChI=1S/C12H15N.C7H17NO2S/c1-3-4-11-6-5-10(2)9-12(11)7-8-13;1-6(7(2,3)4)8(5)11(9)10/h5-6,9H,3-4,7H2,1-2H3;6H,1-5H3,(H,9,10)