ethyl 4-[4-chloranyl-2-(trifluoromethyl)phenyl]-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate

Systemtic Name: ethyl 4-[4-chloranyl-2-(trifluoromethyl)phenyl]-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate Openeye Name: ethyl 4-[4-chloro-2-(trifluoromethyl)phenyl]-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate CAS Name: 4-[4-chloro-2-(trifluoromethyl)phenyl]-5-cyanoimino-1,3,4-thiadiazole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-chloro-2-(trifluoromethyl)phenyl]-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate Traditional Name: 4-[4-chloro-2-(trifluoromethyl)phenyl]-5-cyanoimino-1,3,4-thiadiazole-2-carboxylic acid ethyl ester Formula: C13H8ClF3N4O2S MolecularWeight: 376.74143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=NC#N)S1)C2=C(C=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=NC#N)S1)C2=C(C=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C13H8ClF3N4O2S/c1-2-23-11(22)10-20-21(12(24-10)19-6-18)9-4-3-7(14)5-8(9)13(15,16)17/h3-5H,2H2,1H3