2-(3-oxidanylpropoxy)-3-(3-propylsulfanylpropylamino)benzenecarbonitrile

Systemtic Name: 2-(3-oxidanylpropoxy)-3-(3-propylsulfanylpropylamino)benzenecarbonitrile Openeye Name: 2-(3-hydroxypropoxy)-3-(3-propylsulfanylpropylamino)benzonitrile CAS Name: 2-(3-hydroxypropoxy)-3-[3-(propylthio)propylamino]benzonitrile IUPAC Name: 2-(3-hydroxypropoxy)-3-(3-propylsulfanylpropylamino)benzonitrile Traditional Name: 2-(3-hydroxypropoxy)-3-[3-(propylthio)propylamino]benzonitrile Formula: C16H24N2O2S MolecularWeight: 308.43896

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCCCNC1=CC=CC(=C1OCCCO)C#N

Isomeric SMILES

CCCSCCCNC1=CC=CC(=C1OCCCO)C#N

InChI

InChI=1S/C16H24N2O2S/c1-2-11-21-12-4-8-18-15-7-3-6-14(13-17)16(15)20-10-5-9-19/h3,6-7,18-19H,2,4-5,8-12H2,1H3