2-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: 2-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-[3-(4-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[[3-(4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: 2-[[3-(4-fluorophenyl)-4-keto-quinazolin-2-yl]thio]-N-mesityl-acetamide Formula: C25H22FN3O2S MolecularWeight: 447.524483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F)C

InChI

InChI=1S/C25H22FN3O2S/c1-15-12-16(2)23(17(3)13-15)28-22(30)14-32-25-27-21-7-5-4-6-20(21)24(31)29(25)19-10-8-18(26)9-11-19/h4-13H,14H2,1-3H3,(H,28,30)