[4-(3-cyano-3-pyridin-3-yl-hexoxy)phenyl] thiohypobromite

Systemtic Name: [4-(3-cyano-3-pyridin-3-yl-hexoxy)phenyl] thiohypobromite Openeye Name: [4-[3-cyano-3-(3-pyridyl)hexoxy]phenyl] thiohypobromite CAS Name: thiohypobromous acid [4-[3-cyano-3-(3-pyridinyl)hexoxy]phenyl] ester IUPAC Name: [4-(3-cyano-3-pyridin-3-ylhexoxy)phenyl] thiohypobromite Traditional Name: thiohypobromous acid [4-[3-cyano-3-(3-pyridyl)hexoxy]phenyl] ester Formula: C18H19BrN2OS MolecularWeight: 391.32526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCOC1=CC=C(C=C1)SBr)(C#N)C2=CN=CC=C2

Isomeric SMILES

CCCC(CCOC1=CC=C(C=C1)SBr)(C#N)C2=CN=CC=C2

InChI

InChI=1S/C18H19BrN2OS/c1-2-9-18(14-20,15-4-3-11-21-13-15)10-12-22-16-5-7-17(23-19)8-6-16/h3-8,11,13H,2,9-10,12H2,1H3