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

Systemtic Name: [4-(3-cyano-3-pyridin-3-yl-propoxy)phenyl] thiohypobromite Openeye Name: [4-[3-cyano-3-(3-pyridyl)propoxy]phenyl] thiohypobromite CAS Name: thiohypobromous acid [4-[3-cyano-3-(3-pyridinyl)propoxy]phenyl] ester IUPAC Name: [4-(3-cyano-3-pyridin-3-ylpropoxy)phenyl] thiohypobromite Traditional Name: thiohypobromous acid [4-[3-cyano-3-(3-pyridyl)propoxy]phenyl] ester Formula: C15H13BrN2OS MolecularWeight: 349.24552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(CCOC2=CC=C(C=C2)SBr)C#N

Isomeric SMILES

C1=CC(=CN=C1)C(CCOC2=CC=C(C=C2)SBr)C#N

InChI

InChI=1S/C15H13BrN2OS/c16-20-15-5-3-14(4-6-15)19-9-7-12(10-17)13-2-1-8-18-11-13/h1-6,8,11-12H,7,9H2