3-[2-(3-bromanylphenoxy)ethylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[2-(3-bromanylphenoxy)ethylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[2-(3-bromophenoxy)ethylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine CAS Name: 3-[2-(3-bromophenoxy)ethylthio]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[2-(3-bromophenoxy)ethylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[2-(3-bromophenoxy)ethylthio]-5-(4-methoxyphenyl)-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=C(C=C1)C2=NN=C(N2N)SCCOC3=CC(=CC=C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2N)SCCOC3=CC(=CC=C3)Br

InChI

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