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

Systemtic Name: 3-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[(2-chloro-4-fluorophenyl)methylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[(2-chloro-4-fluoro-benzyl)thio]-1H-1,2,4-triazol-5-yl]amine Formula: C9H8ClFN4S MolecularWeight: 258.703023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)Cl)CSC2=NNC(=N2)N

Isomeric SMILES

C1=CC(=C(C=C1F)Cl)CSC2=NNC(=N2)N

InChI

InChI=1S/C9H8ClFN4S/c10-7-3-6(11)2-1-5(7)4-16-9-13-8(12)14-15-9/h1-3H,4H2,(H3,12,13,14,15)