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

Systemtic Name: 2-(3-azanyl-2-oxidanyl-propoxy)-4-[3-(2-fluoranylpropylsulfanyl)propyl]benzenecarbonitrile Openeye Name: 2-(3-amino-2-hydroxy-propoxy)-4-[3-(2-fluoropropylsulfanyl)propyl]benzonitrile CAS Name: 2-(3-amino-2-hydroxypropoxy)-4-[3-(2-fluoropropylthio)propyl]benzonitrile IUPAC Name: 2-(3-amino-2-hydroxypropoxy)-4-[3-(2-fluoropropylsulfanyl)propyl]benzonitrile Traditional Name: 2-(3-amino-2-hydroxy-propoxy)-4-[3-(2-fluoropropylthio)propyl]benzonitrile Formula: C16H23FN2O2S MolecularWeight: 326.429423

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSCCCC1=CC(=C(C=C1)C#N)OCC(CN)O)F

Isomeric SMILES

CC(CSCCCC1=CC(=C(C=C1)C#N)OCC(CN)O)F

InChI

InChI=1S/C16H23FN2O2S/c1-12(17)11-22-6-2-3-13-4-5-14(8-18)16(7-13)21-10-15(20)9-19/h4-5,7,12,15,20H,2-3,6,9-11,19H2,1H3