5-propan-2-yl-2-propyl-benzenecarbonitrile; (sulfinoamino)ethane

Systemtic Name: 5-propan-2-yl-2-propyl-benzenecarbonitrile; (sulfinoamino)ethane Openeye Name: 5-isopropyl-2-propyl-benzonitrile; (sulfinoamino)ethane CAS Name: 5-propan-2-yl-2-propylbenzonitrile; (sulfinoamino)ethane IUPAC Name: 5-propan-2-yl-2-propylbenzonitrile; (sulfinoamino)ethane Traditional Name: 5-isopropyl-2-propyl-benzonitrile; (sulfinoamino)ethane Formula: C15H24N2O2S MolecularWeight: 296.42826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N.C2H7NO2S/c1-4-5-11-6-7-12(10(2)3)8-13(11)9-14;1-2-3-6(4)5/h6-8,10H,4-5H2,1-3H3;3H,2H2,1H3,(H,4,5)