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

Systemtic Name: 3-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(4-bromo-2,5-dimethoxy-phenyl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(4-bromo-2,5-dimethoxyphenyl)methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(4-bromo-2,5-dimethoxy-benzyl)thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C19H20BrN3O3S MolecularWeight: 450.3494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CSC2=NNC(=O)N2CCC3=CC=CC=C3)OC)Br

Isomeric SMILES

COC1=CC(=C(C=C1CSC2=NNC(=O)N2CCC3=CC=CC=C3)OC)Br

InChI

InChI=1S/C19H20BrN3O3S/c1-25-16-11-15(20)17(26-2)10-14(16)12-27-19-22-21-18(24)23(19)9-8-13-6-4-3-5-7-13/h3-7,10-11H,8-9,12H2,1-2H3,(H,21,24)