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

Systemtic Name: 3-[2-(4-bromanylphenoxy)ethylsulfanyl]-5-(4-ethylphenyl)-1H-1,2,4-triazole Openeye Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-5-(4-ethylphenyl)-1H-1,2,4-triazole CAS Name: 3-[2-(4-bromophenoxy)ethylthio]-5-(4-ethylphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-5-(4-ethylphenyl)-1H-1,2,4-triazole Traditional Name: 3-[2-(4-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=C(C=C3)Br

Isomeric SMILES

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

InChI

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