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

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-3-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-3-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-3-[(2-fluorophenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-3-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: (5-bromo-2-methoxy-benzyl)-[3-[(2-fluorobenzyl)thio]-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)CNN2C=NN=C2SCC3=CC=CC=C3F

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CNN2C=NN=C2SCC3=CC=CC=C3F

InChI

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