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

Systemtic Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-phenyl-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-phenyl-7-(pyrrolidine-1-carbonyl)quinazolin-4-one CAS Name: 2-[(3-nitrophenyl)methylthio]-7-[oxo(1-pyrrolidinyl)methyl]-3-phenyl-4-quinazolinone IUPAC Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-phenyl-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Traditional Name: 2-[(3-nitrobenzyl)thio]-3-phenyl-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Formula: C26H22N4O4S MolecularWeight: 486.54228

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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)[N+](=O)[O-])C5=CC=CC=C5

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=CC=C5

InChI

InChI=1S/C26H22N4O4S/c31-24(28-13-4-5-14-28)19-11-12-22-23(16-19)27-26(29(25(22)32)20-8-2-1-3-9-20)35-17-18-7-6-10-21(15-18)30(33)34/h1-3,6-12,15-16H,4-5,13-14,17H2