3-[[3-[(4-fluorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[3-[(4-fluorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[3-[(4-fluorophenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[3-[(4-fluorophenyl)methyl]-4-oxo-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 3-[[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[3-(4-fluorobenzyl)-4-keto-quinazolin-2-yl]thio]methyl]benzonitrile Formula: C23H16FN3OS MolecularWeight: 401.456043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=CC(=C3)C#N)CC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=CC(=C3)C#N)CC4=CC=C(C=C4)F

InChI

InChI=1S/C23H16FN3OS/c24-19-10-8-16(9-11-19)14-27-22(28)20-6-1-2-7-21(20)26-23(27)29-15-18-5-3-4-17(12-18)13-25/h1-12H,14-15H2