4-[3-[methyl(1-sulfanylhex-5-enyl)amino]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[3-[methyl(1-sulfanylhex-5-enyl)amino]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[2-hydroxy-3-[methyl(1-sulfanylhex-5-enyl)amino]propoxy]benzonitrile CAS Name: 4-[2-hydroxy-3-[1-mercaptohex-5-enyl(methyl)amino]propoxy]benzonitrile IUPAC Name: 4-[2-hydroxy-3-[methyl(1-sulfanylhex-5-enyl)amino]propoxy]benzonitrile Traditional Name: 4-[2-hydroxy-3-[1-mercaptohex-5-enyl(methyl)amino]propoxy]benzonitrile Formula: C17H24N2O2S MolecularWeight: 320.44966

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(COC1=CC=C(C=C1)C#N)O)C(CCCC=C)S

Isomeric SMILES

CN(CC(COC1=CC=C(C=C1)C#N)O)C(CCCC=C)S

InChI

InChI=1S/C17H24N2O2S/c1-3-4-5-6-17(22)19(2)12-15(20)13-21-16-9-7-14(11-18)8-10-16/h3,7-10,15,17,20,22H,1,4-6,12-13H2,2H3