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

Systemtic Name: ethyl 5-azanylidene-4-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-carboxylate Openeye Name: ethyl 5-imino-4-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-carboxylate CAS Name: 5-imino-4-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-imino-4-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-carboxylate Traditional Name: 5-imino-4-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-carboxylic acid ethyl ester Formula: C12H10F3N3O2S MolecularWeight: 317.28691

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=N)S1)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=N)S1)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C12H10F3N3O2S/c1-2-20-10(19)9-17-18(11(16)21-9)8-5-3-4-7(6-8)12(13,14)15/h3-6,16H,2H2,1H3