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

Systemtic Name: 2-[1-(2,4,6-trimethyl-7-oxidanylidene-cyclohepta-1,3,5-trien-1-yl)sulfanylethylidene]propanedinitrile Openeye Name: 2-[1-(2,4,6-trimethyl-7-oxo-cyclohepta-1,3,5-trien-1-yl)sulfanylethylidene]propanedinitrile CAS Name: 2-[1-[(2,4,6-trimethyl-7-oxo-1-cyclohepta-1,3,5-trienyl)thio]ethylidene]propanedinitrile IUPAC Name: 2-[1-(2,4,6-trimethyl-7-oxocyclohepta-1,3,5-trien-1-yl)sulfanylethylidene]propanedinitrile Traditional Name: 2-[1-[(7-keto-2,4,6-trimethyl-cyclohepta-1,3,5-trien-1-yl)thio]ethylidene]malononitrile Formula: C15H14N2OS MolecularWeight: 270.34946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2OS/c1-9-5-10(2)14(18)15(11(3)6-9)19-12(4)13(7-16)8-17/h5-6H,1-4H3