3-[5-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-4-methyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C15H17BrN4O3S MolecularWeight: 413.28948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC3=C(C=C2Br)OCCO3)CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SCC2=CC3=C(C=C2Br)OCCO3)CCC(=O)N

InChI

InChI=1S/C15H17BrN4O3S/c1-20-14(3-2-13(17)21)18-19-15(20)24-8-9-6-11-12(7-10(9)16)23-5-4-22-11/h6-7H,2-5,8H2,1H3,(H2,17,21)