3-[[(2S)-6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-5-methyl-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[[(2S)-6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-5-methyl-4-phenyl-1,2,4-triazole Openeye Name: 3-[[(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-5-methyl-4-phenyl-1,2,4-triazole CAS Name: 3-[[(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-5-methyl-4-phenyl-1,2,4-triazole IUPAC Name: 3-[[(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-5-methyl-4-phenyl-1,2,4-triazole Traditional Name: 3-[[(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-5-methyl-4-phenyl-1,2,4-triazole Formula: C24H20BrN3O2S MolecularWeight: 494.4035

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCC3=C4C(=CC(=C3)Br)COC(O4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC3=C4C(=CC(=C3)Br)CO[C@@H](O4)C5=CC=CC=C5

InChI

InChI=1S/C24H20BrN3O2S/c1-16-26-27-24(28(16)21-10-6-3-7-11-21)31-15-19-13-20(25)12-18-14-29-23(30-22(18)19)17-8-4-2-5-9-17/h2-13,23H,14-15H2,1H3/t23-/m0/s1