(2E)-2-isocyano-2-[2-(4-methylphenyl)-1,1-bis(oxidanylidene)-6-phenyl-thiopyran-4-ylidene]ethanenitrile

Systemtic Name: (2E)-2-isocyano-2-[2-(4-methylphenyl)-1,1-bis(oxidanylidene)-6-phenyl-thiopyran-4-ylidene]ethanenitrile Openeye Name: (2E)-2-[1,1-dioxo-2-phenyl-6-(p-tolyl)thiopyran-4-ylidene]-2-isocyano-acetonitrile CAS Name: (2E)-2-isocyano-2-[2-(4-methylphenyl)-1,1-dioxo-6-phenyl-4-thiopyranylidene]acetonitrile IUPAC Name: (2E)-2-isocyano-2-[2-(4-methylphenyl)-1,1-dioxo-6-phenylthiopyran-4-ylidene]acetonitrile Traditional Name: (2E)-2-[1,1-diketo-2-phenyl-6-(p-tolyl)thiopyran-4-ylidene]-2-isocyano-acetonitrile Formula: C21H14N2O2S MolecularWeight: 358.41306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=C(C#N)[N+]#[C-])C=C(S2(=O)=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=C/C(=C(\C#N)/[N+]#[C-])/C=C(S2(=O)=O)C3=CC=CC=C3

InChI

InChI=1S/C21H14N2O2S/c1-15-8-10-17(11-9-15)21-13-18(19(14-22)23-2)12-20(26(21,24)25)16-6-4-3-5-7-16/h3-13H,1H3/b19-18+