2-(5-butan-2-yl-2-propyl-phenyl)ethanenitrile; 3-(sulfinoamino)prop-1-ene

Systemtic Name: 2-(5-butan-2-yl-2-propyl-phenyl)ethanenitrile; 3-(sulfinoamino)prop-1-ene Openeye Name: 2-(2-propyl-5-sec-butyl-phenyl)acetonitrile; 3-(sulfinoamino)prop-1-ene CAS Name: 2-(5-butan-2-yl-2-propylphenyl)acetonitrile; 3-(sulfinoamino)-1-propene IUPAC Name: 2-(5-butan-2-yl-2-propylphenyl)acetonitrile; 3-(sulfinoamino)prop-1-ene Traditional Name: 2-(2-propyl-5-sec-butyl-phenyl)acetonitrile; 3-(sulfinoamino)prop-1-ene Formula: C18H28N2O2S MolecularWeight: 336.49212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N.C3H7NO2S/c1-4-6-13-7-8-14(12(3)5-2)11-15(13)9-10-16;1-2-3-4-7(5)6/h7-8,11-12H,4-6,9H2,1-3H3;2,4H,1,3H2,(H,5,6)