3-azanyl-5-(4-hydroxyphenyl)sulfinyl-2-(2-oxidanylpropoxy)-4-propyl-benzenecarbonitrile

Systemtic Name: 3-azanyl-5-(4-hydroxyphenyl)sulfinyl-2-(2-oxidanylpropoxy)-4-propyl-benzenecarbonitrile Openeye Name: 3-amino-5-(4-hydroxyphenyl)sulfinyl-2-(2-hydroxypropoxy)-4-propyl-benzonitrile CAS Name: 3-amino-5-(4-hydroxyphenyl)sulfinyl-2-(2-hydroxypropoxy)-4-propylbenzonitrile IUPAC Name: 3-amino-5-(4-hydroxyphenyl)sulfinyl-2-(2-hydroxypropoxy)-4-propylbenzonitrile Traditional Name: 3-amino-5-(4-hydroxyphenyl)sulfinyl-2-(2-hydroxypropoxy)-4-propyl-benzonitrile Formula: C19H22N2O4S MolecularWeight: 374.45398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C(=C1N)OCC(C)O)C#N)S(=O)C2=CC=C(C=C2)O

Isomeric SMILES

CCCC1=C(C=C(C(=C1N)OCC(C)O)C#N)S(=O)C2=CC=C(C=C2)O

InChI

InChI=1S/C19H22N2O4S/c1-3-4-16-17(26(24)15-7-5-14(23)6-8-15)9-13(10-20)19(18(16)21)25-11-12(2)22/h5-9,12,22-23H,3-4,11,21H2,1-2H3