3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-butyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-butyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-butyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-4-butyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-butyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-4-butyl-1H-1,2,4-triazol-5-one Formula: C15H18BrN3O3S MolecularWeight: 400.29072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C15H18BrN3O3S/c1-2-3-4-19-14(20)17-18-15(19)23-9-10-7-12-13(8-11(10)16)22-6-5-21-12/h7-8H,2-6,9H2,1H3,(H,17,20)