methyl (2E)-2-(dimethylcarbamoylimino)-5-hexylsulfanyl-1,3,4-thiadiazole-3-carboxylate

Systemtic Name: methyl (2E)-2-(dimethylcarbamoylimino)-5-hexylsulfanyl-1,3,4-thiadiazole-3-carboxylate Openeye Name: methyl (2E)-2-(dimethylcarbamoylimino)-5-hexylsulfanyl-1,3,4-thiadiazole-3-carboxylate CAS Name: (2E)-2-[dimethylamino(oxo)methyl]imino-5-(hexylthio)-1,3,4-thiadiazole-3-carboxylic acid methyl ester IUPAC Name: methyl (2E)-2-(dimethylcarbamoylimino)-5-hexylsulfanyl-1,3,4-thiadiazole-3-carboxylate Traditional Name: (2E)-2-(dimethylcarbamoylimino)-5-(hexylthio)-1,3,4-thiadiazole-3-carboxylic acid methyl ester Formula: C13H22N4O3S2 MolecularWeight: 346.46878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NN(C(=NC(=O)N(C)C)S1)C(=O)OC

Isomeric SMILES

CCCCCCSC1=NN(/C(=N\C(=O)N(C)C)/S1)C(=O)OC

InChI

InChI=1S/C13H22N4O3S2/c1-5-6-7-8-9-21-12-15-17(13(19)20-4)11(22-12)14-10(18)16(2)3/h5-9H2,1-4H3/b14-11+