N-ethyl-5-[[4-(trifluoromethyloxy)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine

Systemtic Name: N-ethyl-5-[[4-(trifluoromethyloxy)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine Openeye Name: N-ethyl-5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: N-ethyl-5-[[4-(trifluoromethoxy)phenyl]methylthio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-ethyl-5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine Traditional Name: ethyl-[5-[[4-(trifluoromethoxy)benzyl]thio]-1,3,4-thiadiazol-2-yl]amine Formula: C12H12F3N3OS2 MolecularWeight: 335.36839

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NN=C(S1)SCC2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

CCNC1=NN=C(S1)SCC2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C12H12F3N3OS2/c1-2-16-10-17-18-11(21-10)20-7-8-3-5-9(6-4-8)19-12(13,14)15/h3-6H,2,7H2,1H3,(H,16,17)