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

Systemtic Name: [4-(3-cyano-3-pyridin-3-yl-pentoxy)phenyl] thiohypochlorite Openeye Name: [4-[3-cyano-3-(3-pyridyl)pentoxy]phenyl] thiohypochlorite CAS Name: thiohypochlorous acid [4-[3-cyano-3-(3-pyridinyl)pentoxy]phenyl] ester IUPAC Name: [4-(3-cyano-3-pyridin-3-ylpentoxy)phenyl] thiohypochlorite Traditional Name: thiohypochlorous acid [4-[3-cyano-3-(3-pyridyl)pentoxy]phenyl] ester Formula: C17H17ClN2OS MolecularWeight: 332.84768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN2OS/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