4-[3-[ethyl(2-propylsulfanylpropyl)amino]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[3-[ethyl(2-propylsulfanylpropyl)amino]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[3-[ethyl(2-propylsulfanylpropyl)amino]-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[3-[ethyl-[2-(propylthio)propyl]amino]-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[3-[ethyl(2-propylsulfanylpropyl)amino]-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[3-[ethyl-[2-(propylthio)propyl]amino]-2-hydroxy-propoxy]benzonitrile Formula: C18H28N2O2S MolecularWeight: 336.49212

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(C)CN(CC)CC(COC1=CC=C(C=C1)C#N)O

Isomeric SMILES

CCCSC(C)CN(CC)CC(COC1=CC=C(C=C1)C#N)O

InChI

InChI=1S/C18H28N2O2S/c1-4-10-23-15(3)12-20(5-2)13-17(21)14-22-18-8-6-16(11-19)7-9-18/h6-9,15,17,21H,4-5,10,12-14H2,1-3H3