3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-methyl-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-methyl-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-methyl-1,2,4-triazole CAS Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-5-methyl-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-methyl-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-5-methyl-1,2,4-triazole Formula: C15H16BrN3O2S MolecularWeight: 382.27544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CC1=NN=C(N1CC=C)SCC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C15H16BrN3O2S/c1-3-4-19-10(2)17-18-15(19)22-9-11-7-13-14(8-12(11)16)21-6-5-20-13/h3,7-8H,1,4-6,9H2,2H3