3-(3-methylbutyl)-2-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(3-methylbutyl)-2-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-one Openeye Name: 3-isopentyl-2-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-methylbutyl)-2-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylthio]-4-quinazolinone IUPAC Name: 3-(3-methylbutyl)-2-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-one Traditional Name: 3-isoamyl-2-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylthio]quinazolin-4-one Formula: C22H21N5O4S MolecularWeight: 451.49824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=NO3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=NO3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O4S/c1-14(2)10-11-26-21(28)17-8-3-4-9-18(17)23-22(26)32-13-19-24-20(25-31-19)15-6-5-7-16(12-15)27(29)30/h3-9,12,14H,10-11,13H2,1-2H3