2-(3-azanyl-2-oxidanyl-propoxy)-4-ethyl-3-[3-(phenylsulfinyl)propyl]benzenecarbonitrile

Systemtic Name: 2-(3-azanyl-2-oxidanyl-propoxy)-4-ethyl-3-[3-(phenylsulfinyl)propyl]benzenecarbonitrile Openeye Name: 2-(3-amino-2-hydroxy-propoxy)-3-[3-(benzenesulfinyl)propyl]-4-ethyl-benzonitrile CAS Name: 2-(3-amino-2-hydroxypropoxy)-3-[3-(benzenesulfinyl)propyl]-4-ethylbenzonitrile IUPAC Name: 2-(3-amino-2-hydroxypropoxy)-3-[3-(benzenesulfinyl)propyl]-4-ethylbenzonitrile Traditional Name: 2-(3-amino-2-hydroxy-propoxy)-3-[3-(benzenesulfinyl)propyl]-4-ethyl-benzonitrile Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-2-16-10-11-17(13-22)21(26-15-18(24)14-23)20(16)9-6-12-27(25)19-7-4-3-5-8-19/h3-5,7-8,10-11,18,24H,2,6,9,12,14-15,23H2,1H3