1-[[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]methyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 1-[[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]methyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 1-[[3-(4-fluorophenyl)-4-oxo-quinazolin-2-yl]methyl]-1,2,4-triazole-3-carbonitrile CAS Name: 1-[[3-(4-fluorophenyl)-4-oxo-2-quinazolinyl]methyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 1-[[3-(4-fluorophenyl)-4-keto-quinazolin-2-yl]methyl]-1,2,4-triazole-3-carbonitrile Formula: C18H11FN6O MolecularWeight: 346.317943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)CN3C=NC(=N3)C#N)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)CN3C=NC(=N3)C#N)C4=CC=C(C=C4)F

InChI

InChI=1S/C18H11FN6O/c19-12-5-7-13(8-6-12)25-17(10-24-11-21-16(9-20)23-24)22-15-4-2-1-3-14(15)18(25)26/h1-8,11H,10H2