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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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