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

Systemtic Name: [2-chloranylsulfanyl-4-(2-cyano-2-pyridin-3-yl-butoxy)phenyl] thiohypochlorite Openeye Name: [2-chlorosulfanyl-4-[2-cyano-2-(3-pyridyl)butoxy]phenyl] thiohypochlorite CAS Name: thiohypochlorous acid [2-(chlorothio)-4-[2-cyano-2-(3-pyridinyl)butoxy]phenyl] ester IUPAC Name: [2-chlorosulfanyl-4-(2-cyano-2-pyridin-3-ylbutoxy)phenyl] thiohypochlorite Traditional Name: thiohypochlorous acid [2-(chlorothio)-4-[2-cyano-2-(3-pyridyl)butoxy]phenyl] ester Formula: C16H14Cl2N2OS2 MolecularWeight: 385.33116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14Cl2N2OS2/c1-2-16(10-19,12-4-3-7-20-9-12)11-21-13-5-6-14(22-17)15(8-13)23-18/h3-9H,2,11H2,1H3