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

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[(4-bromo-2-fluorophenyl)methylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[(4-bromo-2-fluoro-benzyl)thio]-1H-1,2,4-triazol-5-yl]amine Formula: C9H8BrFN4S MolecularWeight: 303.154023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)F)CSC2=NNC(=N2)N

Isomeric SMILES

C1=CC(=C(C=C1Br)F)CSC2=NNC(=N2)N

InChI

InChI=1S/C9H8BrFN4S/c10-6-2-1-5(7(11)3-6)4-16-9-13-8(12)14-15-9/h1-3H,4H2,(H3,12,13,14,15)