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

Systemtic Name: 3-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-4,5-dimethyl-1,2,4-triazole Openeye Name: 3-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-4,5-dimethyl-1,2,4-triazole CAS Name: 3-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-4,5-dimethyl-1,2,4-triazole IUPAC Name: 3-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-4,5-dimethyl-1,2,4-triazole Traditional Name: 3-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-4,5-dimethyl-1,2,4-triazole Formula: C19H18FN3O2S MolecularWeight: 371.428523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN=C(N1C)SCC2=C3C(=CC(=C2)F)CO[C@@H](O3)C4=CC=CC=C4

InChI

InChI=1S/C19H18FN3O2S/c1-12-21-22-19(23(12)2)26-11-15-9-16(20)8-14-10-24-18(25-17(14)15)13-6-4-3-5-7-13/h3-9,18H,10-11H2,1-2H3/t18-/m0/s1