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

Systemtic Name: 2-[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-(3-phenylpropyl)quinazolin-4-one Openeye Name: 2-[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-(3-phenylpropyl)quinazolin-4-one CAS Name: 2-[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylthio]-3-(3-phenylpropyl)-4-quinazolinone IUPAC Name: 2-[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-(3-phenylpropyl)quinazolin-4-one Traditional Name: 2-[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylthio]-3-(3-phenylpropyl)quinazolin-4-one Formula: C26H21N5O4S MolecularWeight: 499.54104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=NO4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=NO4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H21N5O4S/c32-25-21-10-4-5-11-22(21)27-26(30(25)16-6-9-18-7-2-1-3-8-18)36-17-23-28-24(29-35-23)19-12-14-20(15-13-19)31(33)34/h1-5,7-8,10-15H,6,9,16-17H2