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

Systemtic Name: 5-butan-2-yl-2-propyl-benzenecarbonitrile; 3-(sulfinoamino)prop-1-ene Openeye Name: 2-propyl-5-sec-butyl-benzonitrile; 3-(sulfinoamino)prop-1-ene CAS Name: 5-butan-2-yl-2-propylbenzonitrile; 3-(sulfinoamino)-1-propene IUPAC Name: 5-butan-2-yl-2-propylbenzonitrile; 3-(sulfinoamino)prop-1-ene Traditional Name: 2-propyl-5-sec-butyl-benzonitrile; 3-(sulfinoamino)prop-1-ene Formula: C17H26N2O2S MolecularWeight: 322.46554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N.C3H7NO2S/c1-4-6-12-7-8-13(11(3)5-2)9-14(12)10-15;1-2-3-4-7(5)6/h7-9,11H,4-6H2,1-3H3;2,4H,1,3H2,(H,5,6)