ethyl (2E)-2-[4-azanyl-5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamoyl]-3-phenyl-1,3-thiazol-2-ylidene]-2-cyano-ethanoate

Systemtic Name: ethyl (2E)-2-[4-azanyl-5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamoyl]-3-phenyl-1,3-thiazol-2-ylidene]-2-cyano-ethanoate Openeye Name: ethyl (2E)-2-[4-amino-5-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamoyl]-3-phenyl-thiazol-2-ylidene]-2-cyano-acetate CAS Name: (2E)-2-[4-amino-5-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-oxomethyl]-3-phenyl-2-thiazolylidene]-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl (2E)-2-[4-amino-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]-3-phenyl-1,3-thiazol-2-ylidene]-2-cyanoacetate Traditional Name: (2E)-2-[4-amino-5-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)carbamoyl]-3-phenyl-4-thiazolin-2-ylidene]-2-cyano-acetic acid ethyl ester Formula: C26H24N6O4S MolecularWeight: 516.57156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1N(C(=C(S1)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)N)C4=CC=CC=C4)C#N

Isomeric SMILES

CCOC(=O)/C(=C/1\N(C(=C(S1)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)N)C4=CC=CC=C4)/C#N

InChI

InChI=1S/C26H24N6O4S/c1-4-36-26(35)19(15-27)25-31(17-11-7-5-8-12-17)22(28)21(37-25)23(33)29-20-16(2)30(3)32(24(20)34)18-13-9-6-10-14-18/h5-14H,4,28H2,1-3H3,(H,29,33)/b25-19+