3-[5-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[(4-bromo-2,5-dimethoxy-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[(4-bromo-2,5-dimethoxyphenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[(4-bromo-2,5-dimethoxy-benzyl)thio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C15H19BrN4O3S MolecularWeight: 415.30536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC(=C(C=C2OC)Br)OC)CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SCC2=CC(=C(C=C2OC)Br)OC)CCC(=O)N

InChI

InChI=1S/C15H19BrN4O3S/c1-20-14(5-4-13(17)21)18-19-15(20)24-8-9-6-12(23-3)10(16)7-11(9)22-2/h6-7H,4-5,8H2,1-3H3,(H2,17,21)