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

Systemtic Name: 3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(furan-2-yl)-4-methyl-1,2,4-triazole Openeye Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(2-furyl)-4-methyl-1,2,4-triazole CAS Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-5-(2-furanyl)-4-methyl-1,2,4-triazole IUPAC Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(furan-2-yl)-4-methyl-1,2,4-triazole Traditional Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-5-(2-furyl)-4-methyl-1,2,4-triazole Formula: C15H12BrN3O3S MolecularWeight: 394.24308

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC3=C(C=C2Br)OCO3)C4=CC=CO4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC3=C(C=C2Br)OCO3)C4=CC=CO4

InChI

InChI=1S/C15H12BrN3O3S/c1-19-14(11-3-2-4-20-11)17-18-15(19)23-7-9-5-12-13(6-10(9)16)22-8-21-12/h2-6H,7-8H2,1H3