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

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine hydrochloride Openeye Name: 3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine hydrochloride CAS Name: 3-[(2-chloro-6-fluorophenyl)methylthio]-1H-1,2,4-triazol-5-amine hydrochloride IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine hydrochloride Traditional Name: [3-[(2-chloro-6-fluoro-benzyl)thio]-1H-1,2,4-triazol-5-yl]amine hydrochloride Formula: C9H9Cl2FN4S MolecularWeight: 295.163963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)CSC2=NNC(=N2)N)F.Cl

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)CSC2=NNC(=N2)N)F.Cl

InChI

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