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

Systemtic Name: 3-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole Openeye Name: 3-[(4-bromo-2,5-dimethoxy-phenyl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole CAS Name: 3-[(4-bromo-2,5-dimethoxyphenyl)methylthio]-5-phenyl-1H-1,2,4-triazole IUPAC Name: 3-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole Traditional Name: 3-[(4-bromo-2,5-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=CC(=C(C=C1CSC2=NNC(=N2)C3=CC=CC=C3)OC)Br

Isomeric SMILES

COC1=CC(=C(C=C1CSC2=NNC(=N2)C3=CC=CC=C3)OC)Br

InChI

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