2-(3-azanyl-2-oxidanyl-propoxy)-3-(3-propylsulfinylpropyl)benzenecarbonitrile

Systemtic Name: 2-(3-azanyl-2-oxidanyl-propoxy)-3-(3-propylsulfinylpropyl)benzenecarbonitrile Openeye Name: 2-(3-amino-2-hydroxy-propoxy)-3-(3-propylsulfinylpropyl)benzonitrile CAS Name: 2-(3-amino-2-hydroxypropoxy)-3-(3-propylsulfinylpropyl)benzonitrile IUPAC Name: 2-(3-amino-2-hydroxypropoxy)-3-(3-propylsulfinylpropyl)benzonitrile Traditional Name: 2-(3-amino-2-hydroxy-propoxy)-3-(3-propylsulfinylpropyl)benzonitrile Formula: C16H24N2O3S MolecularWeight: 324.43836

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)CCCC1=CC=CC(=C1OCC(CN)O)C#N

Isomeric SMILES

CCCS(=O)CCCC1=CC=CC(=C1OCC(CN)O)C#N

InChI

InChI=1S/C16H24N2O3S/c1-2-8-22(20)9-4-7-13-5-3-6-14(10-17)16(13)21-12-15(19)11-18/h3,5-6,15,19H,2,4,7-9,11-12,18H2,1H3