[4-(2-cyano-2-pyridin-3-yl-butoxy)phenyl] thiohypochlorite

Systemtic Name: [4-(2-cyano-2-pyridin-3-yl-butoxy)phenyl] thiohypochlorite Openeye Name: [4-[2-cyano-2-(3-pyridyl)butoxy]phenyl] thiohypochlorite CAS Name: thiohypochlorous acid [4-[2-cyano-2-(3-pyridinyl)butoxy]phenyl] ester IUPAC Name: [4-(2-cyano-2-pyridin-3-ylbutoxy)phenyl] thiohypochlorite Traditional Name: thiohypochlorous acid [4-[2-cyano-2-(3-pyridyl)butoxy]phenyl] ester Formula: C16H15ClN2OS MolecularWeight: 318.8211

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC1=CC=C(C=C1)SCl)(C#N)C2=CN=CC=C2

Isomeric SMILES

CCC(COC1=CC=C(C=C1)SCl)(C#N)C2=CN=CC=C2

InChI

InChI=1S/C16H15ClN2OS/c1-2-16(11-18,13-4-3-9-19-10-13)12-20-14-5-7-15(21-17)8-6-14/h3-10H,2,12H2,1H3