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

Systemtic Name: 5-(3-phenylpropylsulfanyl)-N-[4-(trifluoromethyloxy)phenyl]-1,3,4-thiadiazol-2-amine Openeye Name: 5-(3-phenylpropylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-(3-phenylpropylthio)-N-[4-(trifluoromethoxy)phenyl]-1,3,4-thiadiazol-2-amine IUPAC Name: 5-(3-phenylpropylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,4-thiadiazol-2-amine Traditional Name: [5-(3-phenylpropylthio)-1,3,4-thiadiazol-2-yl]-[4-(trifluoromethoxy)phenyl]amine Formula: C18H16F3N3OS2 MolecularWeight: 411.46435

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCSC2=NN=C(S2)NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CCCSC2=NN=C(S2)NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C18H16F3N3OS2/c19-18(20,21)25-15-10-8-14(9-11-15)22-16-23-24-17(27-16)26-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-11H,4,7,12H2,(H,22,23)