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

Systemtic Name: 4-[4-oxidanylidene-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-3-yl]benzenecarbonitrile Openeye Name: 4-[4-oxo-2-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-3-yl]benzonitrile CAS Name: 4-[4-oxo-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylthio]-3-quinazolinyl]benzonitrile IUPAC Name: 4-[4-oxo-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-3-yl]benzonitrile Traditional Name: 4-[4-keto-2-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methylthio]quinazolin-3-yl]benzonitrile Formula: C22H13N5O2S2 MolecularWeight: 443.50092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=NC(=NO3)C4=CC=CS4)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=NC(=NO3)C4=CC=CS4)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C22H13N5O2S2/c23-12-14-7-9-15(10-8-14)27-21(28)16-4-1-2-5-17(16)24-22(27)31-13-19-25-20(26-29-19)18-6-3-11-30-18/h1-11H,13H2