2-[phenyl-(2,4,6-trimethyl-7-oxidanylidene-cyclohepta-1,3,5-trien-1-yl)sulfanyl-methylidene]propanedinitrile

Systemtic Name: 2-[phenyl-(2,4,6-trimethyl-7-oxidanylidene-cyclohepta-1,3,5-trien-1-yl)sulfanyl-methylidene]propanedinitrile Openeye Name: 2-[phenyl-(2,4,6-trimethyl-7-oxo-cyclohepta-1,3,5-trien-1-yl)sulfanyl-methylene]propanedinitrile CAS Name: 2-[phenyl-[(2,4,6-trimethyl-7-oxo-1-cyclohepta-1,3,5-trienyl)thio]methylidene]propanedinitrile IUPAC Name: 2-[phenyl-(2,4,6-trimethyl-7-oxocyclohepta-1,3,5-trien-1-yl)sulfanylmethylidene]propanedinitrile Traditional Name: 2-[[(7-keto-2,4,6-trimethyl-cyclohepta-1,3,5-trien-1-yl)thio]-phenyl-methylene]malononitrile Formula: C20H16N2OS MolecularWeight: 332.41884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2OS/c1-13-9-14(2)18(23)19(15(3)10-13)24-20(17(11-21)12-22)16-7-5-4-6-8-16/h4-10H,1-3H3