7,7-dimethyl-2-(4-methylsulfanylphenyl)-4-oxidanyl-5-oxidanylidene-3,6-dihydro-2H-naphthalene-1,1-dicarbonitrile

Systemtic Name: 7,7-dimethyl-2-(4-methylsulfanylphenyl)-4-oxidanyl-5-oxidanylidene-3,6-dihydro-2H-naphthalene-1,1-dicarbonitrile Openeye Name: 4-hydroxy-7,7-dimethyl-2-(4-methylsulfanylphenyl)-5-oxo-3,6-dihydro-2H-naphthalene-1,1-dicarbonitrile CAS Name: 4-hydroxy-7,7-dimethyl-2-[4-(methylthio)phenyl]-5-oxo-3,6-dihydro-2H-naphthalene-1,1-dicarbonitrile IUPAC Name: 4-hydroxy-7,7-dimethyl-2-(4-methylsulfanylphenyl)-5-oxo-3,6-dihydro-2H-naphthalene-1,1-dicarbonitrile Traditional Name: 4-hydroxy-5-keto-7,7-dimethyl-2-[4-(methylthio)phenyl]-3,6-dihydro-2H-naphthalene-1,1-dicarbonitrile Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2=C(CC(C(C2=C1)(C#N)C#N)C3=CC=C(C=C3)SC)O)C

Isomeric SMILES

CC1(CC(=O)C2=C(CC(C(C2=C1)(C#N)C#N)C3=CC=C(C=C3)SC)O)C

InChI

InChI=1S/C21H20N2O2S/c1-20(2)9-16-19(18(25)10-20)17(24)8-15(21(16,11-22)12-23)13-4-6-14(26-3)7-5-13/h4-7,9,15,24H,8,10H2,1-3H3