3-(3,3-dimethyl-1-oxidanylidene-2-benzofuran-5-yl)-2-(1,2,4-triazol-1-ylmethyl)benzenecarbonitrile

Systemtic Name: 3-(3,3-dimethyl-1-oxidanylidene-2-benzofuran-5-yl)-2-(1,2,4-triazol-1-ylmethyl)benzenecarbonitrile Openeye Name: 3-(3,3-dimethyl-1-oxo-isobenzofuran-5-yl)-2-(1,2,4-triazol-1-ylmethyl)benzonitrile CAS Name: 3-(3,3-dimethyl-1-oxo-5-isobenzofuranyl)-2-(1,2,4-triazol-1-ylmethyl)benzonitrile IUPAC Name: 3-(3,3-dimethyl-1-oxo-2-benzofuran-5-yl)-2-(1,2,4-triazol-1-ylmethyl)benzonitrile Traditional Name: 3-(1-keto-3,3-dimethyl-phthalan-5-yl)-2-(1,2,4-triazol-1-ylmethyl)benzonitrile Formula: C20H16N4O2 MolecularWeight: 344.36664

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C3=CC=CC(=C3CN4C=NC=N4)C#N)C(=O)O1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3=CC=CC(=C3CN4C=NC=N4)C#N)C(=O)O1)C

InChI

InChI=1S/C20H16N4O2/c1-20(2)18-8-13(6-7-16(18)19(25)26-20)15-5-3-4-14(9-21)17(15)10-24-12-22-11-23-24/h3-8,11-12H,10H2,1-2H3