3-[2-(4-bromanylphenoxy)ethylsulfanyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole

Systemtic Name: 3-[2-(4-bromanylphenoxy)ethylsulfanyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole Openeye Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole CAS Name: 3-[2-(4-bromophenoxy)ethylthio]-5-(4-methoxyphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole Traditional Name: 3-[2-(4-bromophenoxy)ethylthio]-5-(4-methoxyphenyl)-1H-1,2,4-triazole Formula: C17H16BrN3O2S MolecularWeight: 406.29684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2)SCCOC3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2)SCCOC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H16BrN3O2S/c1-22-14-6-2-12(3-7-14)16-19-17(21-20-16)24-11-10-23-15-8-4-13(18)5-9-15/h2-9H,10-11H2,1H3,(H,19,20,21)