3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine Openeye Name: 3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine CAS Name: 3-[(2-chloro-6-fluorophenyl)methylthio]-5-ethyl-1,2,4-triazol-4-amine IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine Traditional Name: [3-[(2-chloro-6-fluoro-benzyl)thio]-5-ethyl-1,2,4-triazol-4-yl]amine Formula: C11H12ClFN4S MolecularWeight: 286.756183

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1N)SCC2=C(C=CC=C2Cl)F

Isomeric SMILES

CCC1=NN=C(N1N)SCC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C11H12ClFN4S/c1-2-10-15-16-11(17(10)14)18-6-7-8(12)4-3-5-9(7)13/h3-5H,2,6,14H2,1H3