3-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole

Systemtic Name: 3-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole Openeye Name: 3-[(2-bromo-4,5-dimethoxy-phenyl)methylsulfanyl]-5-(2-thienyl)-1H-1,2,4-triazole CAS Name: 3-[(2-bromo-4,5-dimethoxyphenyl)methylthio]-5-thiophen-2-yl-1H-1,2,4-triazole IUPAC Name: 3-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole Traditional Name: 3-[(2-bromo-4,5-dimethoxy-benzyl)thio]-5-(2-thienyl)-1H-1,2,4-triazole Formula: C15H14BrN3O2S2 MolecularWeight: 412.32456

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CSC2=NNC(=N2)C3=CC=CS3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CSC2=NNC(=N2)C3=CC=CS3)Br)OC

InChI

InChI=1S/C15H14BrN3O2S2/c1-20-11-6-9(10(16)7-12(11)21-2)8-23-15-17-14(18-19-15)13-4-3-5-22-13/h3-7H,8H2,1-2H3,(H,17,18,19)