diethyl 2-[(2E)-2-[(4-chlorophenyl)hydrazinylidene]-1-phenyl-2-thiocyanato-ethylidene]propanedioate

Systemtic Name: diethyl 2-[(2E)-2-[(4-chlorophenyl)hydrazinylidene]-1-phenyl-2-thiocyanato-ethylidene]propanedioate Openeye Name: diethyl 2-[(2E)-2-[(4-chlorophenyl)hydrazono]-1-phenyl-2-thiocyanato-ethylidene]propanedioate CAS Name: 2-[(2E)-2-[(4-chlorophenyl)hydrazinylidene]-1-phenyl-2-thiocyanatoethylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(2E)-2-[(4-chlorophenyl)hydrazinylidene]-1-phenyl-2-thiocyanatoethylidene]propanedioate Traditional Name: 2-[(2E)-2-[(4-chlorophenyl)hydrazono]-1-phenyl-2-thiocyanato-ethylidene]malonic acid diethyl ester Formula: C22H20ClN3O4S MolecularWeight: 457.9299

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C1=CC=CC=C1)C(=NNC2=CC=C(C=C2)Cl)SC#N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=C(C1=CC=CC=C1)/C(=N\NC2=CC=C(C=C2)Cl)/SC#N)C(=O)OCC

InChI

InChI=1S/C22H20ClN3O4S/c1-3-29-21(27)19(22(28)30-4-2)18(15-8-6-5-7-9-15)20(31-14-24)26-25-17-12-10-16(23)11-13-17/h5-13,25H,3-4H2,1-2H3/b26-20+