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

Systemtic Name: 3-phenyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-phenyl-2-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-one CAS Name: 3-phenyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylthio]-4-quinazolinone IUPAC Name: 3-phenyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-phenyl-2-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methylthio]quinazolin-4-one Formula: C21H14N4O2S2 MolecularWeight: 418.49146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=NO4)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=NO4)C5=CC=CS5

InChI

InChI=1S/C21H14N4O2S2/c26-20-15-9-4-5-10-16(15)22-21(25(20)14-7-2-1-3-8-14)29-13-18-23-19(24-27-18)17-11-6-12-28-17/h1-12H,13H2