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

Systemtic Name: 3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-methyl-5-phenyl-1,2,4-triazole Openeye Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-4-methyl-5-phenyl-1,2,4-triazole CAS Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-4-methyl-5-phenyl-1,2,4-triazole IUPAC Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-4-methyl-5-phenyl-1,2,4-triazole Traditional Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-4-methyl-5-phenyl-1,2,4-triazole Formula: C17H14BrN3O2S MolecularWeight: 404.28096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrN3O2S/c1-21-16(11-5-3-2-4-6-11)19-20-17(21)24-9-12-7-14-15(8-13(12)18)23-10-22-14/h2-8H,9-10H2,1H3