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

Systemtic Name: 2-(3-azanyl-2-oxidanyl-propoxy)-3-(3-sulfinylpropyl)benzenecarbonitrile Openeye Name: 2-(3-amino-2-hydroxy-propoxy)-3-(3-sulfinylpropyl)benzonitrile CAS Name: 2-(3-amino-2-hydroxypropoxy)-3-(3-sulfinylpropyl)benzonitrile IUPAC Name: 2-(3-amino-2-hydroxypropoxy)-3-(3-sulfinylpropyl)benzonitrile Traditional Name: 2-(3-amino-2-hydroxy-propoxy)-3-(3-sulfinylpropyl)benzonitrile Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)CCC=S=O)OCC(CN)O)C#N

Isomeric SMILES

C1=CC(=C(C(=C1)CCC=S=O)OCC(CN)O)C#N

InChI

InChI=1S/C13H16N2O3S/c14-7-11-4-1-3-10(5-2-6-19-17)13(11)18-9-12(16)8-15/h1,3-4,6,12,16H,2,5,8-9,15H2