2-[[3-(3,3-dimethyl-1-oxidanylidene-2-benzofuran-5-yl)-1,2,4-triazol-1-yl]methyl]-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[[3-(3,3-dimethyl-1-oxidanylidene-2-benzofuran-5-yl)-1,2,4-triazol-1-yl]methyl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 2-[[3-(3,3-dimethyl-1-oxo-isobenzofuran-5-yl)-1,2,4-triazol-1-yl]methyl]-3-fluoro-benzonitrile CAS Name: 2-[[3-(3,3-dimethyl-1-oxo-5-isobenzofuranyl)-1,2,4-triazol-1-yl]methyl]-3-fluorobenzonitrile IUPAC Name: 2-[[3-(3,3-dimethyl-1-oxo-2-benzofuran-5-yl)-1,2,4-triazol-1-yl]methyl]-3-fluorobenzonitrile Traditional Name: 3-fluoro-2-[[3-(1-keto-3,3-dimethyl-phthalan-5-yl)-1,2,4-triazol-1-yl]methyl]benzonitrile Formula: C20H15FN4O2 MolecularWeight: 362.357103

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C3=NN(C=N3)CC4=C(C=CC=C4F)C#N)C(=O)O1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3=NN(C=N3)CC4=C(C=CC=C4F)C#N)C(=O)O1)C

InChI

InChI=1S/C20H15FN4O2/c1-20(2)16-8-12(6-7-14(16)19(26)27-20)18-23-11-25(24-18)10-15-13(9-22)4-3-5-17(15)21/h3-8,11H,10H2,1-2H3