4-[3-(4-ethylsulfanylbutylamino)-2-oxidanyl-pentan-3-yl]oxybenzenecarbonitrile

Systemtic Name: 4-[3-(4-ethylsulfanylbutylamino)-2-oxidanyl-pentan-3-yl]oxybenzenecarbonitrile Openeye Name: 4-[1-ethyl-1-(4-ethylsulfanylbutylamino)-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[3-[4-(ethylthio)butylamino]-2-hydroxypentan-3-yl]oxybenzonitrile IUPAC Name: 4-[3-(4-ethylsulfanylbutylamino)-2-hydroxypentan-3-yl]oxybenzonitrile Traditional Name: 4-[1-ethyl-1-[4-(ethylthio)butylamino]-2-hydroxy-propoxy]benzonitrile Formula: C18H28N2O2S MolecularWeight: 336.49212

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)O)(NCCCCSCC)OC1=CC=C(C=C1)C#N

Isomeric SMILES

CCC(C(C)O)(NCCCCSCC)OC1=CC=C(C=C1)C#N

InChI

InChI=1S/C18H28N2O2S/c1-4-18(15(3)21,20-12-6-7-13-23-5-2)22-17-10-8-16(14-19)9-11-17/h8-11,15,20-21H,4-7,12-13H2,1-3H3