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

Systemtic Name: 3-[2-(3-bromanylphenoxy)ethylsulfanyl]-5-phenyl-1H-1,2,4-triazole Openeye Name: 3-[2-(3-bromophenoxy)ethylsulfanyl]-5-phenyl-1H-1,2,4-triazole CAS Name: 3-[2-(3-bromophenoxy)ethylthio]-5-phenyl-1H-1,2,4-triazole IUPAC Name: 3-[2-(3-bromophenoxy)ethylsulfanyl]-5-phenyl-1H-1,2,4-triazole Traditional Name: 3-[2-(3-bromophenoxy)ethylthio]-5-phenyl-1H-1,2,4-triazole Formula: C16H14BrN3OS MolecularWeight: 376.27086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrN3OS/c17-13-7-4-8-14(11-13)21-9-10-22-16-18-15(19-20-16)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,18,19,20)