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

Systemtic Name: 4-[(3,3-dimethyl-1-oxidanylidene-2-benzofuran-5-yl)-(1,2,4-triazol-1-yl)methyl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[(3,3-dimethyl-1-oxo-isobenzofuran-5-yl)-(1,2,4-triazol-1-yl)methyl]-3-fluoro-benzonitrile CAS Name: 4-[(3,3-dimethyl-1-oxo-5-isobenzofuranyl)-(1,2,4-triazol-1-yl)methyl]-3-fluorobenzonitrile IUPAC Name: 4-[(3,3-dimethyl-1-oxo-2-benzofuran-5-yl)-(1,2,4-triazol-1-yl)methyl]-3-fluorobenzonitrile Traditional Name: 3-fluoro-4-[(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)C(C3=C(C=C(C=C3)C#N)F)N4C=NC=N4)C(=O)O1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C(C3=C(C=C(C=C3)C#N)F)N4C=NC=N4)C(=O)O1)C

InChI

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