2-(3-azanyl-2-oxidanyl-propoxy)-4-ethyl-3-[3-(2-fluoranylpropylsulfanyl)propyl]benzenecarbonitrile

Systemtic Name: 2-(3-azanyl-2-oxidanyl-propoxy)-4-ethyl-3-[3-(2-fluoranylpropylsulfanyl)propyl]benzenecarbonitrile Openeye Name: 2-(3-amino-2-hydroxy-propoxy)-4-ethyl-3-[3-(2-fluoropropylsulfanyl)propyl]benzonitrile CAS Name: 2-(3-amino-2-hydroxypropoxy)-4-ethyl-3-[3-(2-fluoropropylthio)propyl]benzonitrile IUPAC Name: 2-(3-amino-2-hydroxypropoxy)-4-ethyl-3-[3-(2-fluoropropylsulfanyl)propyl]benzonitrile Traditional Name: 2-(3-amino-2-hydroxy-propoxy)-4-ethyl-3-[3-(2-fluoropropylthio)propyl]benzonitrile Formula: C18H27FN2O2S MolecularWeight: 354.482583

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)C#N)OCC(CN)O)CCCSCC(C)F

Isomeric SMILES

CCC1=C(C(=C(C=C1)C#N)OCC(CN)O)CCCSCC(C)F

InChI

InChI=1S/C18H27FN2O2S/c1-3-14-6-7-15(9-20)18(23-11-16(22)10-21)17(14)5-4-8-24-12-13(2)19/h6-7,13,16,22H,3-5,8,10-12,21H2,1-2H3