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

Systemtic Name: 7-chloranyl-3-(3-methylbutyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 7-chloro-3-isopentyl-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 7-chloro-3-(3-methylbutyl)-2-[(4-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 7-chloro-3-(3-methylbutyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 7-chloro-3-isoamyl-2-[(4-nitrobenzyl)thio]quinazolin-4-one Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20ClN3O3S/c1-13(2)9-10-23-19(25)17-8-5-15(21)11-18(17)22-20(23)28-12-14-3-6-16(7-4-14)24(26)27/h3-8,11,13H,9-10,12H2,1-2H3