4,5-bis(chloranyl)-3-oxidanyl-6-[(E)-1-phenethylsulfanylhex-1-en-3-yl]oxy-benzene-1,2-dicarbonitrile

Systemtic Name: 4,5-bis(chloranyl)-3-oxidanyl-6-[(E)-1-phenethylsulfanylhex-1-en-3-yl]oxy-benzene-1,2-dicarbonitrile Openeye Name: 4,5-dichloro-3-hydroxy-6-[1-[(E)-2-phenethylsulfanylvinyl]butoxy]phthalonitrile CAS Name: 4,5-dichloro-3-hydroxy-6-[(E)-1-(phenethylthio)hex-1-en-3-yl]oxybenzene-1,2-dicarbonitrile IUPAC Name: 4,5-dichloro-3-hydroxy-6-[(E)-1-phenethylsulfanylhex-1-en-3-yl]oxybenzene-1,2-dicarbonitrile Traditional Name: 4,5-dichloro-3-hydroxy-6-[(E)-3-(phenethylthio)-1-propyl-allyloxy]phthalonitrile Formula: C22H20Cl2N2O2S MolecularWeight: 447.3774

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C=CSCCC1=CC=CC=C1)OC2=C(C(=C(C(=C2C#N)C#N)O)Cl)Cl

Isomeric SMILES

CCCC(/C=C/SCCC1=CC=CC=C1)OC2=C(C(=C(C(=C2C#N)C#N)O)Cl)Cl

InChI

InChI=1S/C22H20Cl2N2O2S/c1-2-6-16(10-12-29-11-9-15-7-4-3-5-8-15)28-22-18(14-26)17(13-25)21(27)19(23)20(22)24/h3-5,7-8,10,12,16,27H,2,6,9,11H2,1H3/b12-10+