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

Systemtic Name: [4-(3-cyano-3-pyridin-3-yl-butoxy)phenyl] thiohypobromite Openeye Name: [4-[3-cyano-3-(3-pyridyl)butoxy]phenyl] thiohypobromite CAS Name: thiohypobromous acid [4-[3-cyano-3-(3-pyridinyl)butoxy]phenyl] ester IUPAC Name: [4-(3-cyano-3-pyridin-3-ylbutoxy)phenyl] thiohypobromite Traditional Name: thiohypobromous acid [4-[3-cyano-3-(3-pyridyl)butoxy]phenyl] ester Formula: C16H15BrN2OS MolecularWeight: 363.2721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrN2OS/c1-16(12-18,13-3-2-9-19-11-13)8-10-20-14-4-6-15(21-17)7-5-14/h2-7,9,11H,8,10H2,1H3