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

Systemtic Name: 3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-4-amine CAS Name: 3-[(5-bromo-2-methoxyphenyl)methylthio]-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-4-amine IUPAC Name: 3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-5-[(2-fluorophenyl)methyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(5-bromo-2-methoxy-benzyl)thio]-5-(2-fluorobenzyl)-1,2,4-triazol-4-yl]amine Formula: C17H16BrFN4OS MolecularWeight: 423.302543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=NN=C(N2N)CC3=CC=CC=C3F

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=NN=C(N2N)CC3=CC=CC=C3F

InChI

InChI=1S/C17H16BrFN4OS/c1-24-15-7-6-13(18)8-12(15)10-25-17-22-21-16(23(17)20)9-11-4-2-3-5-14(11)19/h2-8H,9-10,20H2,1H3