(Z,2Z,6Z)-2-(2,2-dimethylpropylidene)-6-(ethoxymethylidene)-5-oxidanyl-4-phenylsulfanyl-hept-3-enedinitrile

Systemtic Name: (Z,2Z,6Z)-2-(2,2-dimethylpropylidene)-6-(ethoxymethylidene)-5-oxidanyl-4-phenylsulfanyl-hept-3-enedinitrile Openeye Name: (Z,2Z,6Z)-2-(2,2-dimethylpropylidene)-6-(ethoxymethylene)-5-hydroxy-4-phenylsulfanyl-hept-3-enedinitrile CAS Name: (Z,2Z,6Z)-2-(2,2-dimethylpropylidene)-6-(ethoxymethylidene)-5-hydroxy-4-(phenylthio)-3-heptenedinitrile IUPAC Name: (Z,2Z,6Z)-2-(2,2-dimethylpropylidene)-6-(ethoxymethylidene)-5-hydroxy-4-phenylsulfanylhept-3-enedinitrile Traditional Name: (Z,2Z,6Z)-6-(ethoxymethylene)-5-hydroxy-2-neopentylidene-4-(phenylthio)hept-3-enedinitrile Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC=C(C#N)C(C(=CC(=CC(C)(C)C)C#N)SC1=CC=CC=C1)O

Isomeric SMILES

CCO/C=C(/C#N)\C(/C(=C/C(=C/C(C)(C)C)/C#N)/SC1=CC=CC=C1)O

InChI

InChI=1S/C21H24N2O2S/c1-5-25-15-17(14-23)20(24)19(26-18-9-7-6-8-10-18)11-16(13-22)12-21(2,3)4/h6-12,15,20,24H,5H2,1-4H3/b16-12-,17-15-,19-11-