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

Systemtic Name: 2-[[3-[(4-fluorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[3-[(4-fluorophenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[3-[(4-fluorophenyl)methyl]-4-oxo-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 2-[[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[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=C(C(=C1)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)F)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)F)C#N

InChI

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