2-(5-propan-2-yl-2-propyl-phenyl)ethanenitrile; (sulfinoamino)ethane

Systemtic Name: 2-(5-propan-2-yl-2-propyl-phenyl)ethanenitrile; (sulfinoamino)ethane Openeye Name: 2-(5-isopropyl-2-propyl-phenyl)acetonitrile; (sulfinoamino)ethane CAS Name: 2-(5-propan-2-yl-2-propylphenyl)acetonitrile; (sulfinoamino)ethane IUPAC Name: 2-(5-propan-2-yl-2-propylphenyl)acetonitrile; (sulfinoamino)ethane Traditional Name: 2-(5-isopropyl-2-propyl-phenyl)acetonitrile; (sulfinoamino)ethane Formula: C16H26N2O2S MolecularWeight: 310.45484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N.C2H7NO2S/c1-4-5-12-6-7-13(11(2)3)10-14(12)8-9-15;1-2-3-6(4)5/h6-7,10-11H,4-5,8H2,1-3H3;3H,2H2,1H3,(H,4,5)