3-azanyl-5-ethyl-2-(2-oxidanylpropoxy)-4-[3-(phenylsulfinyl)propyl]benzenecarbonitrile

Systemtic Name: 3-azanyl-5-ethyl-2-(2-oxidanylpropoxy)-4-[3-(phenylsulfinyl)propyl]benzenecarbonitrile Openeye Name: 3-amino-4-[3-(benzenesulfinyl)propyl]-5-ethyl-2-(2-hydroxypropoxy)benzonitrile CAS Name: 3-amino-4-[3-(benzenesulfinyl)propyl]-5-ethyl-2-(2-hydroxypropoxy)benzonitrile IUPAC Name: 3-amino-4-[3-(benzenesulfinyl)propyl]-5-ethyl-2-(2-hydroxypropoxy)benzonitrile Traditional Name: 3-amino-4-[3-(benzenesulfinyl)propyl]-5-ethyl-2-(2-hydroxypropoxy)benzonitrile Formula: C21H26N2O3S MolecularWeight: 386.50774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-3-16-12-17(13-22)21(26-14-15(2)24)20(23)19(16)10-7-11-27(25)18-8-5-4-6-9-18/h4-6,8-9,12,15,24H,3,7,10-11,14,23H2,1-2H3