3-butyl-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-butyl-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-butyl-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-butyl-2-[(4-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-butyl-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-butyl-2-[(4-nitrobenzyl)thio]quinazolin-4-one Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O3S/c1-2-3-12-21-18(23)16-6-4-5-7-17(16)20-19(21)26-13-14-8-10-15(11-9-14)22(24)25/h4-11H,2-3,12-13H2,1H3