ethyl (2Z)-2-[4-azanyl-3-phenyl-5-[[(E)-1-pyridin-4-ylethylideneamino]carbamoyl]-1,3-thiazol-2-ylidene]-2-cyano-ethanoate

Systemtic Name: ethyl (2Z)-2-[4-azanyl-3-phenyl-5-[[(E)-1-pyridin-4-ylethylideneamino]carbamoyl]-1,3-thiazol-2-ylidene]-2-cyano-ethanoate Openeye Name: ethyl (2Z)-2-[4-amino-3-phenyl-5-[[(E)-1-(4-pyridyl)ethylideneamino]carbamoyl]thiazol-2-ylidene]-2-cyano-acetate CAS Name: (2Z)-2-[4-amino-5-[oxo-[(2E)-2-(1-pyridin-4-ylethylidene)hydrazinyl]methyl]-3-phenyl-2-thiazolylidene]-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl (2Z)-2-[4-amino-3-phenyl-5-[[(E)-1-pyridin-4-ylethylideneamino]carbamoyl]-1,3-thiazol-2-ylidene]-2-cyanoacetate Traditional Name: (2Z)-2-[4-amino-3-phenyl-5-[[(E)-1-(4-pyridyl)ethylideneamino]carbamoyl]-4-thiazolin-2-ylidene]-2-cyano-acetic acid ethyl ester Formula: C22H20N6O3S MolecularWeight: 448.4976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1N(C(=C(S1)C(=O)NN=C(C)C2=CC=NC=C2)N)C3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)/C(=C\1/N(C(=C(S1)C(=O)N/N=C(\C)/C2=CC=NC=C2)N)C3=CC=CC=C3)/C#N

InChI

InChI=1S/C22H20N6O3S/c1-3-31-22(30)17(13-23)21-28(16-7-5-4-6-8-16)19(24)18(32-21)20(29)27-26-14(2)15-9-11-25-12-10-15/h4-12H,3,24H2,1-2H3,(H,27,29)/b21-17-,26-14+