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

Systemtic Name: 3-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole Openeye Name: 3-[(2-bromo-4,5-dimethoxy-phenyl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole CAS Name: 3-[(2-bromo-4,5-dimethoxyphenyl)methylthio]-5-phenyl-1H-1,2,4-triazole IUPAC Name: 3-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole Traditional Name: 3-[(2-bromo-4,5-dimethoxy-benzyl)thio]-5-phenyl-1H-1,2,4-triazole Formula: C17H16BrN3O2S MolecularWeight: 406.29684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrN3O2S/c1-22-14-8-12(13(18)9-15(14)23-2)10-24-17-19-16(20-21-17)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,19,20,21)