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

Systemtic Name: N-propyl-5-[[4-(trifluoromethyloxy)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine Openeye Name: N-propyl-5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: N-propyl-5-[[4-(trifluoromethoxy)phenyl]methylthio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-propyl-5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine Traditional Name: propyl-[5-[[4-(trifluoromethoxy)benzyl]thio]-1,3,4-thiadiazol-2-yl]amine Formula: C13H14F3N3OS2 MolecularWeight: 349.39497

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NN=C(S1)SCC2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

CCCNC1=NN=C(S1)SCC2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C13H14F3N3OS2/c1-2-7-17-11-18-19-12(22-11)21-8-9-3-5-10(6-4-9)20-13(14,15)16/h3-6H,2,7-8H2,1H3,(H,17,18)