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

Systemtic Name: 5-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-[(2-bromo-4,5-dimethoxy-phenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-[(2-bromo-4,5-dimethoxyphenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-[(2-bromo-4,5-dimethoxy-benzyl)thio]-1H-1,2,4-triazole Formula: C11H12BrN3O2S MolecularWeight: 330.20088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CSC2=NC=NN2)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CSC2=NC=NN2)Br)OC

InChI

InChI=1S/C11H12BrN3O2S/c1-16-9-3-7(8(12)4-10(9)17-2)5-18-11-13-6-14-15-11/h3-4,6H,5H2,1-2H3,(H,13,14,15)