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

Systemtic Name: 3-(3-methylbutyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-isopentyl-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-methylbutyl)-2-[(4-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-(3-methylbutyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-isoamyl-2-[(4-nitrobenzyl)thio]quinazolin-4-one Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O3S/c1-14(2)11-12-22-19(24)17-5-3-4-6-18(17)21-20(22)27-13-15-7-9-16(10-8-15)23(25)26/h3-10,14H,11-13H2,1-2H3