1-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 1-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 1-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-1,2,4-triazole-3-carbonitrile CAS Name: 1-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 1-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-1,2,4-triazole-3-carbonitrile Formula: C18H13FN4O2 MolecularWeight: 336.319823

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)CN4C=NC(=N4)C#N)F

Isomeric SMILES

C1C2=CC(=CC(=C2O[C@H](O1)C3=CC=CC=C3)CN4C=NC(=N4)C#N)F

InChI

InChI=1S/C18H13FN4O2/c19-15-6-13(9-23-11-21-16(8-20)22-23)17-14(7-15)10-24-18(25-17)12-4-2-1-3-5-12/h1-7,11,18H,9-10H2/t18-/m0/s1