5-[(2-bromanyl-4,5-diethoxy-phenyl)methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-[(2-bromanyl-4,5-diethoxy-phenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-[(2-bromo-4,5-diethoxy-phenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-[(2-bromo-4,5-diethoxyphenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-[(2-bromo-4,5-diethoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-[(2-bromo-4,5-diethoxy-benzyl)thio]-1H-1,2,4-triazole Formula: C13H16BrN3O2S MolecularWeight: 358.25404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)CSC2=NC=NN2)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)CSC2=NC=NN2)Br)OCC

InChI

InChI=1S/C13H16BrN3O2S/c1-3-18-11-5-9(7-20-13-15-8-16-17-13)10(14)6-12(11)19-4-2/h5-6,8H,3-4,7H2,1-2H3,(H,15,16,17)