3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazole

Systemtic Name: 3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazole Openeye Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazole CAS Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-4-methyl-5-(2-methyl-3-furanyl)-1,2,4-triazole IUPAC Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazole Traditional Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazole Formula: C16H14BrN3O3S MolecularWeight: 408.26966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C)SCC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C)SCC3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C16H14BrN3O3S/c1-9-11(3-4-21-9)15-18-19-16(20(15)2)24-7-10-5-13-14(6-12(10)17)23-8-22-13/h3-6H,7-8H2,1-2H3