3-[2-chloranyl-5-(trifluoromethyl)phenyl]-4-oxidanylidene-N-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-[2-chloranyl-5-(trifluoromethyl)phenyl]-4-oxidanylidene-N-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-N-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-N-(2-oxolanylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-N-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-4-keto-N-(tetrahydrofurfuryl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H17ClF3N3O3S MolecularWeight: 483.89119

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=C(C=CC(=C4)C(F)(F)F)Cl

Isomeric SMILES

C1CC(OC1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=C(C=CC(=C4)C(F)(F)F)Cl

InChI

InChI=1S/C21H17ClF3N3O3S/c22-15-6-4-12(21(23,24)25)9-17(15)28-19(30)14-5-3-11(8-16(14)27-20(28)32)18(29)26-10-13-2-1-7-31-13/h3-6,8-9,13H,1-2,7,10H2,(H,26,29)(H,27,32)