4-[(4-cyanophenyl)-fluoranyl-(1H-1,2,4-triazol-5-yl)methyl]-2,3-dimethyl-1-benzofuran-7-carbonitrile

Systemtic Name: 4-[(4-cyanophenyl)-fluoranyl-(1H-1,2,4-triazol-5-yl)methyl]-2,3-dimethyl-1-benzofuran-7-carbonitrile Openeye Name: 4-[(4-cyanophenyl)-fluoro-(1H-1,2,4-triazol-5-yl)methyl]-2,3-dimethyl-benzofuran-7-carbonitrile CAS Name: 4-[(4-cyanophenyl)-fluoro-(1H-1,2,4-triazol-5-yl)methyl]-2,3-dimethyl-7-benzofurancarbonitrile IUPAC Name: 4-[(4-cyanophenyl)-fluoro-(1H-1,2,4-triazol-5-yl)methyl]-2,3-dimethyl-1-benzofuran-7-carbonitrile Traditional Name: 4-[(4-cyanophenyl)-fluoro-(1H-1,2,4-triazol-5-yl)methyl]-2,3-dimethyl-benzofuran-7-carbonitrile Formula: C21H14FN5O MolecularWeight: 371.367163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C=CC(=C12)C(C3=CC=C(C=C3)C#N)(C4=NC=NN4)F)C#N)C

Isomeric SMILES

CC1=C(OC2=C(C=CC(=C12)C(C3=CC=C(C=C3)C#N)(C4=NC=NN4)F)C#N)C

InChI

InChI=1S/C21H14FN5O/c1-12-13(2)28-19-15(10-24)5-8-17(18(12)19)21(22,20-25-11-26-27-20)16-6-3-14(9-23)4-7-16/h3-8,11H,1-2H3,(H,25,26,27)