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

Systemtic Name: 3-[2-chloranyl-5-(trifluoromethyl)phenyl]-7-pyrrolidin-1-ylcarbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-7-(pyrrolidine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-7-[oxo(1-pyrrolidinyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-7-(pyrrolidine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-7-(pyrrolidine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one Formula: C20H15ClF3N3O2S MolecularWeight: 453.86521

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=C(C=CC(=C4)C(F)(F)F)Cl

Isomeric SMILES

C1CCN(C1)C(=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/C20H15ClF3N3O2S/c21-14-6-4-12(20(22,23)24)10-16(14)27-18(29)13-5-3-11(9-15(13)25-19(27)30)17(28)26-7-1-2-8-26/h3-6,9-10H,1-2,7-8H2,(H,25,30)