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

Systemtic Name: 5-(2-pyridin-4-ylethylsulfanyl)-N-[4-(trifluoromethyloxy)phenyl]-1,3,4-thiadiazol-2-amine Openeye Name: 5-[2-(4-pyridyl)ethylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-(2-pyridin-4-ylethylthio)-N-[4-(trifluoromethoxy)phenyl]-1,3,4-thiadiazol-2-amine IUPAC Name: 5-(2-pyridin-4-ylethylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,4-thiadiazol-2-amine Traditional Name: [5-[2-(4-pyridyl)ethylthio]-1,3,4-thiadiazol-2-yl]-[4-(trifluoromethoxy)phenyl]amine Formula: C16H13F3N4OS2 MolecularWeight: 398.42583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NN=C(S2)SCCC3=CC=NC=C3)OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1NC2=NN=C(S2)SCCC3=CC=NC=C3)OC(F)(F)F

InChI

InChI=1S/C16H13F3N4OS2/c17-16(18,19)24-13-3-1-12(2-4-13)21-14-22-23-15(26-14)25-10-7-11-5-8-20-9-6-11/h1-6,8-9H,7,10H2,(H,21,22)