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

Systemtic Name: 7-chloranyl-3-(2-methylpropyl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 7-chloro-3-isobutyl-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 7-chloro-3-(2-methylpropyl)-2-[(3-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 7-chloro-3-(2-methylpropyl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 7-chloro-3-isobutyl-2-[(3-nitrobenzyl)thio]quinazolin-4-one Formula: C19H18ClN3O3S MolecularWeight: 403.88252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O3S/c1-12(2)10-22-18(24)16-7-6-14(20)9-17(16)21-19(22)27-11-13-4-3-5-15(8-13)23(25)26/h3-9,12H,10-11H2,1-2H3