phenyl (2E)-2-(dimethylcarbamoylimino)-5-methylsulfanyl-1,3,4-thiadiazole-3-carboxylate

Systemtic Name: phenyl (2E)-2-(dimethylcarbamoylimino)-5-methylsulfanyl-1,3,4-thiadiazole-3-carboxylate Openeye Name: phenyl (2E)-2-(dimethylcarbamoylimino)-5-methylsulfanyl-1,3,4-thiadiazole-3-carboxylate CAS Name: (2E)-2-[dimethylamino(oxo)methyl]imino-5-(methylthio)-1,3,4-thiadiazole-3-carboxylic acid phenyl ester IUPAC Name: phenyl (2E)-2-(dimethylcarbamoylimino)-5-methylsulfanyl-1,3,4-thiadiazole-3-carboxylate Traditional Name: (2E)-2-(dimethylcarbamoylimino)-5-(methylthio)-1,3,4-thiadiazole-3-carboxylic acid phenyl ester Formula: C13H14N4O3S2 MolecularWeight: 338.40526

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)N=C1N(N=C(S1)SC)C(=O)OC2=CC=CC=C2

Isomeric SMILES

CN(C)C(=O)/N=C/1\N(N=C(S1)SC)C(=O)OC2=CC=CC=C2

InChI

InChI=1S/C13H14N4O3S2/c1-16(2)10(18)14-11-17(15-12(21-3)22-11)13(19)20-9-7-5-4-6-8-9/h4-8H,1-3H3/b14-11+