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

Systemtic Name: 3-[2-(4-bromanylphenoxy)ethylsulfanyl]-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-4-amine CAS Name: 3-[2-(4-bromophenoxy)ethylthio]-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[2-(4-bromophenoxy)ethylthio]-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-4-yl]amine Formula: C18H19BrN4O3S MolecularWeight: 451.33746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN4O3S/c1-24-15-8-3-12(11-16(15)25-2)17-21-22-18(23(17)20)27-10-9-26-14-6-4-13(19)5-7-14/h3-8,11H,9-10,20H2,1-2H3