ethyl 4-(3-cyano-1,2,4-triazol-1-yl)-2-(4-methyl-3H-1,3-thiazol-2-ylidene)-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-(3-cyano-1,2,4-triazol-1-yl)-2-(4-methyl-3H-1,3-thiazol-2-ylidene)-3-oxidanylidene-butanoate Openeye Name: ethyl 4-(3-cyano-1,2,4-triazol-1-yl)-2-(4-methyl-3H-thiazol-2-ylidene)-3-oxo-butanoate CAS Name: 4-(3-cyano-1,2,4-triazol-1-yl)-2-(4-methyl-3H-thiazol-2-ylidene)-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(3-cyano-1,2,4-triazol-1-yl)-2-(4-methyl-3H-1,3-thiazol-2-ylidene)-3-oxobutanoate Traditional Name: 4-(3-cyano-1,2,4-triazol-1-yl)-3-keto-2-(4-methyl-4-thiazolin-2-ylidene)butyric acid ethyl ester Formula: C13H13N5O3S MolecularWeight: 319.33902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1NC(=CS1)C)C(=O)CN2C=NC(=N2)C#N

Isomeric SMILES

CCOC(=O)C(=C1NC(=CS1)C)C(=O)CN2C=NC(=N2)C#N

InChI

InChI=1S/C13H13N5O3S/c1-3-21-13(20)11(12-16-8(2)6-22-12)9(19)5-18-7-15-10(4-14)17-18/h6-7,16H,3,5H2,1-2H3