3-[2-chloranyl-5-(trifluoromethyl)phenyl]-7-morpholin-4-ylcarbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[2-chloranyl-5-(trifluoromethyl)phenyl]-7-morpholin-4-ylcarbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-7-(morpholine-4-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-7-[4-morpholinyl(oxo)methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-7-(morpholine-4-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-7-(morpholine-4-carbonyl)-2-thioxo-1H-quinazolin-4-one Formula: C20H15ClF3N3O3S MolecularWeight: 469.86461

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=C(C=CC(=C4)C(F)(F)F)Cl

Isomeric SMILES

C1COCCN1C(=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/C20H15ClF3N3O3S/c21-14-4-2-12(20(22,23)24)10-16(14)27-18(29)13-3-1-11(9-15(13)25-19(27)31)17(28)26-5-7-30-8-6-26/h1-4,9-10H,5-8H2,(H,25,31)