tert-butyl 3-[(E)-[(5-azanyl-1,2,4-thiadiazol-3-yl)-cyano-methylidene]amino]oxybutanoate

Systemtic Name: tert-butyl 3-[(E)-[(5-azanyl-1,2,4-thiadiazol-3-yl)-cyano-methylidene]amino]oxybutanoate Openeye Name: tert-butyl 3-[(E)-[(5-amino-1,2,4-thiadiazol-3-yl)-cyano-methylene]amino]oxybutanoate CAS Name: 3-[(E)-[(5-amino-1,2,4-thiadiazol-3-yl)-cyanomethylidene]amino]oxybutanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(E)-[(5-amino-1,2,4-thiadiazol-3-yl)-cyanomethylidene]amino]oxybutanoate Traditional Name: 3-[(E)-[(5-amino-1,2,4-thiadiazol-3-yl)-cyano-methylene]amino]oxybutyric acid tert-butyl ester Formula: C12H17N5O3S MolecularWeight: 311.36008

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC(C)(C)C)ON=C(C#N)C1=NSC(=N1)N

Isomeric SMILES

CC(CC(=O)OC(C)(C)C)O/N=C(\C#N)/C1=NSC(=N1)N

InChI

InChI=1S/C12H17N5O3S/c1-7(5-9(18)19-12(2,3)4)20-16-8(6-13)10-15-11(14)21-17-10/h7H,5H2,1-4H3,(H2,14,15,17)/b16-8+