3-[(2-bromophenyl)methylsulfanyl]-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-[(2-bromophenyl)methylsulfanyl]-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(2-bromophenyl)methylsulfanyl]-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-4-amine CAS Name: 3-[(2-bromophenyl)methylthio]-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-4-amine IUPAC Name: 3-[(2-bromophenyl)methylsulfanyl]-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(2-bromobenzyl)thio]-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-4-yl]amine Formula: C17H17BrN4O2S MolecularWeight: 421.31148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCC2=NN=C(N2N)SCC3=CC=CC=C3Br

Isomeric SMILES

COC1=CC(=CC=C1)OCC2=NN=C(N2N)SCC3=CC=CC=C3Br

InChI

InChI=1S/C17H17BrN4O2S/c1-23-13-6-4-7-14(9-13)24-10-16-20-21-17(22(16)19)25-11-12-5-2-3-8-15(12)18/h2-9H,10-11,19H2,1H3