propan-2-yl (2E)-2-(dimethylcarbamoylimino)-5-propylsulfanyl-1,3,4-thiadiazole-3-carboxylate

Systemtic Name: propan-2-yl (2E)-2-(dimethylcarbamoylimino)-5-propylsulfanyl-1,3,4-thiadiazole-3-carboxylate Openeye Name: isopropyl (2E)-2-(dimethylcarbamoylimino)-5-propylsulfanyl-1,3,4-thiadiazole-3-carboxylate CAS Name: (2E)-2-[dimethylamino(oxo)methyl]imino-5-(propylthio)-1,3,4-thiadiazole-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (2E)-2-(dimethylcarbamoylimino)-5-propylsulfanyl-1,3,4-thiadiazole-3-carboxylate Traditional Name: (2E)-2-(dimethylcarbamoylimino)-5-(propylthio)-1,3,4-thiadiazole-3-carboxylic acid isopropyl ester Formula: C12H20N4O3S2 MolecularWeight: 332.4422

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN(C(=NC(=O)N(C)C)S1)C(=O)OC(C)C

Isomeric SMILES

CCCSC1=NN(/C(=N\C(=O)N(C)C)/S1)C(=O)OC(C)C

InChI

InChI=1S/C12H20N4O3S2/c1-6-7-20-11-14-16(12(18)19-8(2)3)10(21-11)13-9(17)15(4)5/h8H,6-7H2,1-5H3/b13-10+