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

Systemtic Name: 3-hexyl-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]quinazolin-4-one Openeye Name: 3-hexyl-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]quinazolin-4-one CAS Name: 3-hexyl-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylthio]-4-quinazolinone IUPAC Name: 3-hexyl-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]quinazolin-4-one Traditional Name: 3-hexyl-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylthio]quinazolin-4-one Formula: C23H23N5O4S MolecularWeight: 465.52482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H23N5O4S/c1-2-3-4-7-14-27-22(29)18-8-5-6-9-19(18)24-23(27)33-15-20-25-26-21(32-20)16-10-12-17(13-11-16)28(30)31/h5-6,8-13H,2-4,7,14-15H2,1H3