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

Systemtic Name: 3-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-5-(2-bromophenyl)-1H-1,2,4-triazole Openeye Name: 3-[(2-bromo-4,5-dimethoxy-phenyl)methylsulfanyl]-5-(2-bromophenyl)-1H-1,2,4-triazole CAS Name: 3-[(2-bromo-4,5-dimethoxyphenyl)methylthio]-5-(2-bromophenyl)-1H-1,2,4-triazole IUPAC Name: 3-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]-5-(2-bromophenyl)-1H-1,2,4-triazole Traditional Name: 3-[(2-bromo-4,5-dimethoxy-benzyl)thio]-5-(2-bromophenyl)-1H-1,2,4-triazole Formula: C17H15Br2N3O2S MolecularWeight: 485.1929

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CSC2=NNC(=N2)C3=CC=CC=C3Br)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CSC2=NNC(=N2)C3=CC=CC=C3Br)Br)OC

InChI

InChI=1S/C17H15Br2N3O2S/c1-23-14-7-10(13(19)8-15(14)24-2)9-25-17-20-16(21-22-17)11-5-3-4-6-12(11)18/h3-8H,9H2,1-2H3,(H,20,21,22)