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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NN=C(S1)SCC2=C(C=C(C=C2)F)Cl

Isomeric SMILES

CCCCNC1=NN=C(S1)SCC2=C(C=C(C=C2)F)Cl

InChI

InChI=1S/C13H15ClFN3S2/c1-2-3-6-16-12-17-18-13(20-12)19-8-9-4-5-10(15)7-11(9)14/h4-5,7H,2-3,6,8H2,1H3,(H,16,17)