S-ethyl (2E)-5-tert-butyl-2-(dimethylcarbamoylimino)-1,3,4-thiadiazole-3-carbothioate

Systemtic Name: S-ethyl (2E)-5-tert-butyl-2-(dimethylcarbamoylimino)-1,3,4-thiadiazole-3-carbothioate Openeye Name: S-ethyl (2E)-5-tert-butyl-2-(dimethylcarbamoylimino)-1,3,4-thiadiazole-3-carbothioate CAS Name: (2E)-5-tert-butyl-2-[dimethylamino(oxo)methyl]imino-1,3,4-thiadiazole-3-carbothioic acid S-ethyl ester IUPAC Name: S-ethyl (2E)-5-tert-butyl-2-(dimethylcarbamoylimino)-1,3,4-thiadiazole-3-carbothioate Traditional Name: (2E)-5-tert-butyl-2-(dimethylcarbamoylimino)-1,3,4-thiadiazole-3-carbothioic acid S-ethyl ester Formula: C12H20N4O2S2 MolecularWeight: 316.4428

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)N1C(=NC(=O)N(C)C)SC(=N1)C(C)(C)C

Isomeric SMILES

CCSC(=O)N1/C(=N\C(=O)N(C)C)/SC(=N1)C(C)(C)C

InChI

InChI=1S/C12H20N4O2S2/c1-7-19-11(18)16-10(13-9(17)15(5)6)20-8(14-16)12(2,3)4/h7H2,1-6H3/b13-10+