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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC3=CC4=C(C=C3Br)OCO4

InChI

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