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

Systemtic Name: 2-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-phenethyl-quinazolin-4-one Openeye Name: 2-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-phenethyl-quinazolin-4-one CAS Name: 2-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methylthio]-3-phenethyl-4-quinazolinone IUPAC Name: 2-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-phenethylquinazolin-4-one Traditional Name: 2-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methylthio]-3-phenethyl-quinazolin-4-one Formula: C26H20N4O4S MolecularWeight: 484.5264

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NOC(=N3)CSC4=NC5=CC=CC=C5C(=O)N4CCC6=CC=CC=C6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NOC(=N3)CSC4=NC5=CC=CC=C5C(=O)N4CCC6=CC=CC=C6

InChI

InChI=1S/C26H20N4O4S/c31-25-19-8-4-5-9-20(19)27-26(30(25)13-12-17-6-2-1-3-7-17)35-15-23-28-24(29-34-23)18-10-11-21-22(14-18)33-16-32-21/h1-11,14H,12-13,15-16H2