dimethyl 2-[phenyl(phenyldiazenyl)methylidene]-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-[phenyl(phenyldiazenyl)methylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[phenyl(phenylazo)methylene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[phenyl(phenyldiazenyl)methylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[phenyl(phenyldiazenyl)methylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[phenyl(phenylazo)methylene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C20H16N2O4S2 MolecularWeight: 412.48204

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C(C2=CC=CC=C2)N=NC3=CC=CC=C3)S1)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(SC(=C(C2=CC=CC=C2)N=NC3=CC=CC=C3)S1)C(=O)OC

InChI

InChI=1S/C20H16N2O4S2/c1-25-18(23)16-17(19(24)26-2)28-20(27-16)15(13-9-5-3-6-10-13)22-21-14-11-7-4-8-12-14/h3-12H,1-2H3