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

Systemtic Name: 3-[2-(3-bromanylphenoxy)ethylsulfanyl]-5-(4-ethylphenyl)-1H-1,2,4-triazole Openeye Name: 3-[2-(3-bromophenoxy)ethylsulfanyl]-5-(4-ethylphenyl)-1H-1,2,4-triazole CAS Name: 3-[2-(3-bromophenoxy)ethylthio]-5-(4-ethylphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[2-(3-bromophenoxy)ethylsulfanyl]-5-(4-ethylphenyl)-1H-1,2,4-triazole Traditional Name: 3-[2-(3-bromophenoxy)ethylthio]-5-(4-ethylphenyl)-1H-1,2,4-triazole Formula: C18H18BrN3OS MolecularWeight: 404.32402

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCCOC3=CC(=CC=C3)Br

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCCOC3=CC(=CC=C3)Br

InChI

InChI=1S/C18H18BrN3OS/c1-2-13-6-8-14(9-7-13)17-20-18(22-21-17)24-11-10-23-16-5-3-4-15(19)12-16/h3-9,12H,2,10-11H2,1H3,(H,20,21,22)