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

Systemtic Name: [4-(3-cyano-3-pyridin-3-yl-pentoxy)phenyl] thiohypobromite Openeye Name: [4-[3-cyano-3-(3-pyridyl)pentoxy]phenyl] thiohypobromite CAS Name: thiohypobromous acid [4-[3-cyano-3-(3-pyridinyl)pentoxy]phenyl] ester IUPAC Name: [4-(3-cyano-3-pyridin-3-ylpentoxy)phenyl] thiohypobromite Traditional Name: thiohypobromous acid [4-[3-cyano-3-(3-pyridyl)pentoxy]phenyl] ester Formula: C17H17BrN2OS MolecularWeight: 377.29868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN2OS/c1-2-17(13-19,14-4-3-10-20-12-14)9-11-21-15-5-7-16(22-18)8-6-15/h3-8,10,12H,2,9,11H2,1H3