4-oxidanylidene-N-(pyridin-3-ylmethyl)-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide

Systemtic Name: 4-oxidanylidene-N-(pyridin-3-ylmethyl)-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide Openeye Name: 4-oxo-N-(3-pyridylmethyl)-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-N-(3-pyridinylmethyl)-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-N-(pyridin-3-ylmethyl)-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-N-(3-pyridylmethyl)-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide Formula: C22H15F3N4O2S MolecularWeight: 456.44031

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CN=CC=C4)NC2=S)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CN=CC=C4)NC2=S)C(F)(F)F

InChI

InChI=1S/C22H15F3N4O2S/c23-22(24,25)15-4-1-5-16(10-15)29-20(31)17-7-6-14(9-18(17)28-21(29)32)19(30)27-12-13-3-2-8-26-11-13/h1-11H,12H2,(H,27,30)(H,28,32)