2-(3-azanyl-2-oxidanyl-propoxy)-4-ethyl-3-(3-phenylsulfanylpropyl)benzenecarbonitrile

Systemtic Name: 2-(3-azanyl-2-oxidanyl-propoxy)-4-ethyl-3-(3-phenylsulfanylpropyl)benzenecarbonitrile Openeye Name: 2-(3-amino-2-hydroxy-propoxy)-4-ethyl-3-(3-phenylsulfanylpropyl)benzonitrile CAS Name: 2-(3-amino-2-hydroxypropoxy)-4-ethyl-3-[3-(phenylthio)propyl]benzonitrile IUPAC Name: 2-(3-amino-2-hydroxypropoxy)-4-ethyl-3-(3-phenylsulfanylpropyl)benzonitrile Traditional Name: 2-(3-amino-2-hydroxy-propoxy)-4-ethyl-3-[3-(phenylthio)propyl]benzonitrile Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)C#N)OCC(CN)O)CCCSC2=CC=CC=C2

Isomeric SMILES

CCC1=C(C(=C(C=C1)C#N)OCC(CN)O)CCCSC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O2S/c1-2-16-10-11-17(13-22)21(25-15-18(24)14-23)20(16)9-6-12-26-19-7-4-3-5-8-19/h3-5,7-8,10-11,18,24H,2,6,9,12,14-15,23H2,1H3