5-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-N-isobutyl-1,3,4-thiadiazol-2-amine CAS Name: 5-[(2-chloro-6-fluorophenyl)methylthio]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(2-chloro-6-fluoro-benzyl)thio]-1,3,4-thiadiazol-2-yl]-isobutyl-amine Formula: C13H15ClFN3S2 MolecularWeight: 331.859703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NN=C(S1)SCC2=C(C=CC=C2Cl)F

Isomeric SMILES

CC(C)CNC1=NN=C(S1)SCC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C13H15ClFN3S2/c1-8(2)6-16-12-17-18-13(20-12)19-7-9-10(14)4-3-5-11(9)15/h3-5,8H,6-7H2,1-2H3,(H,16,17)