(2Z)-N-(4-cyanophenyl)-2-[2-(dimethylamino)thiochromen-4-ylidene]-2-isocyano-ethanamide

Systemtic Name: (2Z)-N-(4-cyanophenyl)-2-[2-(dimethylamino)thiochromen-4-ylidene]-2-isocyano-ethanamide Openeye Name: (2Z)-N-(4-cyanophenyl)-2-[2-(dimethylamino)thiochromen-4-ylidene]-2-isocyano-acetamide CAS Name: (2Z)-N-(4-cyanophenyl)-2-[2-(dimethylamino)-1-benzothiopyran-4-ylidene]-2-isocyanoacetamide IUPAC Name: (2Z)-N-(4-cyanophenyl)-2-[2-(dimethylamino)thiochromen-4-ylidene]-2-isocyanoacetamide Traditional Name: (2Z)-N-(4-cyanophenyl)-2-[2-(dimethylamino)thiochromen-4-ylidene]-2-isocyano-acetamide Formula: C21H16N4OS MolecularWeight: 372.44294

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=C(C(=O)NC2=CC=C(C=C2)C#N)[N+]#[C-])C3=CC=CC=C3S1

Isomeric SMILES

CN(C)C1=C/C(=C(\C(=O)NC2=CC=C(C=C2)C#N)/[N+]#[C-])/C3=CC=CC=C3S1

InChI

InChI=1S/C21H16N4OS/c1-23-20(21(26)24-15-10-8-14(13-22)9-11-15)17-12-19(25(2)3)27-18-7-5-4-6-16(17)18/h4-12H,2-3H3,(H,24,26)/b20-17-