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

Systemtic Name: 6-bromanyl-3-ethyl-2-[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-one Openeye Name: 6-bromo-3-ethyl-2-[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-one CAS Name: 6-bromo-3-ethyl-2-[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylthio]-4-quinazolinone IUPAC Name: 6-bromo-3-ethyl-2-[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-one Traditional Name: 6-bromo-3-ethyl-2-[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylthio]quinazolin-4-one Formula: C19H14BrN5O4S MolecularWeight: 488.31456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14BrN5O4S/c1-2-24-18(26)14-9-12(20)5-8-15(14)21-19(24)30-10-16-22-17(23-29-16)11-3-6-13(7-4-11)25(27)28/h3-9H,2,10H2,1H3