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

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine Openeye Name: 3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine CAS Name: 3-[(2-chloro-6-fluorophenyl)methylthio]-5-propyl-1,2,4-triazol-4-amine IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine Traditional Name: [3-[(2-chloro-6-fluoro-benzyl)thio]-5-propyl-1,2,4-triazol-4-yl]amine Formula: C12H14ClFN4S MolecularWeight: 300.782763

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1N)SCC2=C(C=CC=C2Cl)F

Isomeric SMILES

CCCC1=NN=C(N1N)SCC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C12H14ClFN4S/c1-2-4-11-16-17-12(18(11)15)19-7-8-9(13)5-3-6-10(8)14/h3,5-6H,2,4,7,15H2,1H3