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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O3S/c1-13(2)11-21-18(23)16-5-3-4-6-17(16)20-19(21)26-12-14-7-9-15(10-8-14)22(24)25/h3-10,13H,11-12H2,1-2H3