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

Systemtic Name: 4-[(3,3-dimethyl-1-oxidanylidene-2-benzofuran-5-yl)-(1,2,4-triazol-1-yl)methyl]-3,5-bis(fluoranyl)benzenecarbonitrile Openeye Name: 4-[(3,3-dimethyl-1-oxo-isobenzofuran-5-yl)-(1,2,4-triazol-1-yl)methyl]-3,5-difluoro-benzonitrile CAS Name: 4-[(3,3-dimethyl-1-oxo-5-isobenzofuranyl)-(1,2,4-triazol-1-yl)methyl]-3,5-difluorobenzonitrile IUPAC Name: 4-[(3,3-dimethyl-1-oxo-2-benzofuran-5-yl)-(1,2,4-triazol-1-yl)methyl]-3,5-difluorobenzonitrile Traditional Name: 3,5-difluoro-4-[(1-keto-3,3-dimethyl-phthalan-5-yl)-(1,2,4-triazol-1-yl)methyl]benzonitrile Formula: C20H14F2N4O2 MolecularWeight: 380.347566

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C(C3=C(C=C(C=C3F)C#N)F)N4C=NC=N4)C(=O)O1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C(C3=C(C=C(C=C3F)C#N)F)N4C=NC=N4)C(=O)O1)C

InChI

InChI=1S/C20H14F2N4O2/c1-20(2)14-7-12(3-4-13(14)19(27)28-20)18(26-10-24-9-25-26)17-15(21)5-11(8-23)6-16(17)22/h3-7,9-10,18H,1-2H3