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

Systemtic Name: 2-(3-azanyl-2-oxidanyl-propoxy)-3-[3-(2-fluoranylpropylsulfinyl)propyl]benzenecarbonitrile Openeye Name: 2-(3-amino-2-hydroxy-propoxy)-3-[3-(2-fluoropropylsulfinyl)propyl]benzonitrile CAS Name: 2-(3-amino-2-hydroxypropoxy)-3-[3-(2-fluoropropylsulfinyl)propyl]benzonitrile IUPAC Name: 2-(3-amino-2-hydroxypropoxy)-3-[3-(2-fluoropropylsulfinyl)propyl]benzonitrile Traditional Name: 2-(3-amino-2-hydroxy-propoxy)-3-[3-(2-fluoropropylsulfinyl)propyl]benzonitrile Formula: C16H23FN2O3S MolecularWeight: 342.428823

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)CCCC1=CC=CC(=C1OCC(CN)O)C#N)F

Isomeric SMILES

CC(CS(=O)CCCC1=CC=CC(=C1OCC(CN)O)C#N)F

InChI

InChI=1S/C16H23FN2O3S/c1-12(17)11-23(21)7-3-6-13-4-2-5-14(8-18)16(13)22-10-15(20)9-19/h2,4-5,12,15,20H,3,6-7,9-11,19H2,1H3