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

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-5-(2-methylphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-5-(o-tolyl)-1,2,4-triazol-4-amine CAS Name: 3-[(4-bromo-2-fluorophenyl)methylthio]-5-(2-methylphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-bromo-2-fluorophenyl)methylsulfanyl]-5-(2-methylphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(4-bromo-2-fluoro-benzyl)thio]-5-(o-tolyl)-1,2,4-triazol-4-yl]amine Formula: C16H14BrFN4S MolecularWeight: 393.276563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2N)SCC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2N)SCC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C16H14BrFN4S/c1-10-4-2-3-5-13(10)15-20-21-16(22(15)19)23-9-11-6-7-12(17)8-14(11)18/h2-8H,9,19H2,1H3