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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CSC2=NN=CN2C3=CC=CC=C3)OC)Br

Isomeric SMILES

COC1=CC(=C(C=C1CSC2=NN=CN2C3=CC=CC=C3)OC)Br

InChI

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