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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCC2=NN=C(N2N)SCCOC3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC(=CC=C1)OCC2=NN=C(N2N)SCCOC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H19BrN4O3S/c1-24-15-3-2-4-16(11-15)26-12-17-21-22-18(23(17)20)27-10-9-25-14-7-5-13(19)6-8-14/h2-8,11H,9-10,12,20H2,1H3