2-[(3-chlorophenyl)methylsulfanyl]-3-phenyl-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-phenyl-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-phenyl-7-(pyrrolidine-1-carbonyl)quinazolin-4-one CAS Name: 2-[(3-chlorophenyl)methylthio]-7-[oxo(1-pyrrolidinyl)methyl]-3-phenyl-4-quinazolinone IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-phenyl-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Traditional Name: 2-[(3-chlorobenzyl)thio]-3-phenyl-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Formula: C26H22ClN3O2S MolecularWeight: 475.98978

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C26H22ClN3O2S/c27-20-8-6-7-18(15-20)17-33-26-28-23-16-19(24(31)29-13-4-5-14-29)11-12-22(23)25(32)30(26)21-9-2-1-3-10-21/h1-3,6-12,15-16H,4-5,13-14,17H2