5-(3-methylbutan-2-yl)-2-(2-methylpropyl)benzenecarbonitrile; 1-(sulfinoamino)propane

Systemtic Name: 5-(3-methylbutan-2-yl)-2-(2-methylpropyl)benzenecarbonitrile; 1-(sulfinoamino)propane Openeye Name: 5-(1,2-dimethylpropyl)-2-isobutyl-benzonitrile; 1-(sulfinoamino)propane CAS Name: 5-(3-methylbutan-2-yl)-2-(2-methylpropyl)benzonitrile; 1-(sulfinoamino)propane IUPAC Name: 5-(3-methylbutan-2-yl)-2-(2-methylpropyl)benzonitrile; 1-(sulfinoamino)propane Traditional Name: 5-(1,2-dimethylpropyl)-2-isobutyl-benzonitrile; 1-(sulfinoamino)propane Formula: C19H32N2O2S MolecularWeight: 352.53458

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Descriptors Computed from Structure

Canonical SMILES:

CCCNS(=O)O.CC(C)CC1=C(C=C(C=C1)C(C)C(C)C)C#N

Isomeric SMILES

CCCNS(=O)O.CC(C)CC1=C(C=C(C=C1)C(C)C(C)C)C#N

InChI

InChI=1S/C16H23N.C3H9NO2S/c1-11(2)8-15-7-6-14(9-16(15)10-17)13(5)12(3)4;1-2-3-4-7(5)6/h6-7,9,11-13H,8H2,1-5H3;4H,2-3H2,1H3,(H,5,6)