2-(3-azanyl-2-oxidanyl-propoxy)-4-ethyl-3-(3-propylsulfanylpropyl)benzenecarbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCCCC1=C(C=CC(=C1OCC(CN)O)C#N)CC

Isomeric SMILES

CCCSCCCC1=C(C=CC(=C1OCC(CN)O)C#N)CC

InChI

InChI=1S/C18H28N2O2S/c1-3-9-23-10-5-6-17-14(4-2)7-8-15(11-19)18(17)22-13-16(21)12-20/h7-8,16,21H,3-6,9-10,12-13,20H2,1-2H3