3-(4-fluorophenyl)-2-[(3-nitrophenyl)methylsulfanyl]-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one

Systemtic Name: 3-(4-fluorophenyl)-2-[(3-nitrophenyl)methylsulfanyl]-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 3-(4-fluorophenyl)-2-[(3-nitrophenyl)methylsulfanyl]-7-(pyrrolidine-1-carbonyl)quinazolin-4-one CAS Name: 3-(4-fluorophenyl)-2-[(3-nitrophenyl)methylthio]-7-[oxo(1-pyrrolidinyl)methyl]-4-quinazolinone IUPAC Name: 3-(4-fluorophenyl)-2-[(3-nitrophenyl)methylsulfanyl]-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Traditional Name: 3-(4-fluorophenyl)-2-[(3-nitrobenzyl)thio]-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Formula: C26H21FN4O4S MolecularWeight: 504.532743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)[N+](=O)[O-])C5=CC=C(C=C5)F

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)[N+](=O)[O-])C5=CC=C(C=C5)F

InChI

InChI=1S/C26H21FN4O4S/c27-19-7-9-20(10-8-19)30-25(33)22-11-6-18(24(32)29-12-1-2-13-29)15-23(22)28-26(30)36-16-17-4-3-5-21(14-17)31(34)35/h3-11,14-15H,1-2,12-13,16H2