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

Systemtic Name: 3-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(2-bromo-4,5-dimethoxy-phenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(2-bromo-4,5-dimethoxyphenyl)methylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(2-bromo-4,5-dimethoxy-benzyl)thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C14H18BrN3O3S MolecularWeight: 388.28002

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=CC(=C(C=C2Br)OC)OC

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=CC(=C(C=C2Br)OC)OC

InChI

InChI=1S/C14H18BrN3O3S/c1-4-5-18-13(19)16-17-14(18)22-8-9-6-11(20-2)12(21-3)7-10(9)15/h6-7H,4-5,8H2,1-3H3,(H,16,19)