3-[(2-chlorophenyl)methyl]-N-(4-fluorophenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-[(2-chlorophenyl)methyl]-N-(4-fluorophenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[(2-chlorophenyl)methyl]-N-(4-fluorophenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[(2-chlorophenyl)methyl]-N-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[(2-chlorophenyl)methyl]-N-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(2-chlorobenzyl)-N-(4-fluorophenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H15ClFN3O2S MolecularWeight: 439.889803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC=C(C=C4)F)NC2=S)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC=C(C=C4)F)NC2=S)Cl

InChI

InChI=1S/C22H15ClFN3O2S/c23-18-4-2-1-3-14(18)12-27-21(29)17-10-5-13(11-19(17)26-22(27)30)20(28)25-16-8-6-15(24)7-9-16/h1-11H,12H2,(H,25,28)(H,26,30)