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

Systemtic Name: 3-phenethyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-phenethyl-2-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-one CAS Name: 3-phenethyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylthio]-4-quinazolinone IUPAC Name: 3-phenethyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-phenethyl-2-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methylthio]quinazolin-4-one Formula: C23H18N4O2S2 MolecularWeight: 446.54462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=NO4)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=NO4)C5=CC=CS5

InChI

InChI=1S/C23H18N4O2S2/c28-22-17-9-4-5-10-18(17)24-23(27(22)13-12-16-7-2-1-3-8-16)31-15-20-25-21(26-29-20)19-11-6-14-30-19/h1-11,14H,12-13,15H2