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

Systemtic Name: 3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-5-(4-fluorophenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-5-(4-fluorophenyl)-1,2,4-triazol-4-amine CAS Name: 3-[(5-bromo-2-methoxyphenyl)methylthio]-5-(4-fluorophenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-5-(4-fluorophenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(5-bromo-2-methoxy-benzyl)thio]-5-(4-fluorophenyl)-1,2,4-triazol-4-yl]amine Formula: C16H14BrFN4OS MolecularWeight: 409.275963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=NN=C(N2N)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=NN=C(N2N)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H14BrFN4OS/c1-23-14-7-4-12(17)8-11(14)9-24-16-21-20-15(22(16)19)10-2-5-13(18)6-3-10/h2-8H,9,19H2,1H3