4-[4-(1,3-benzodioxol-5-yl)-3-(2,1,3-benzothiadiazol-5-ylmethyl)-2-oxidanyl-5-oxidanylidene-furan-2-yl]benzenecarbonitrile

Systemtic Name: 4-[4-(1,3-benzodioxol-5-yl)-3-(2,1,3-benzothiadiazol-5-ylmethyl)-2-oxidanyl-5-oxidanylidene-furan-2-yl]benzenecarbonitrile Openeye Name: 4-[4-(1,3-benzodioxol-5-yl)-3-(2,1,3-benzothiadiazol-5-ylmethyl)-2-hydroxy-5-oxo-2-furyl]benzonitrile CAS Name: 4-[4-(1,3-benzodioxol-5-yl)-3-(2,1,3-benzothiadiazol-5-ylmethyl)-2-hydroxy-5-oxo-2-furanyl]benzonitrile IUPAC Name: 4-[4-(1,3-benzodioxol-5-yl)-3-(2,1,3-benzothiadiazol-5-ylmethyl)-2-hydroxy-5-oxofuran-2-yl]benzonitrile Traditional Name: 4-[4-(1,3-benzodioxol-5-yl)-2-hydroxy-5-keto-3-(piazthiol-5-ylmethyl)-2-furyl]benzonitrile Formula: C25H15N3O5S MolecularWeight: 469.4687

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C(OC3=O)(C4=CC=C(C=C4)C#N)O)CC5=CC6=NSN=C6C=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C(OC3=O)(C4=CC=C(C=C4)C#N)O)CC5=CC6=NSN=C6C=C5

InChI

InChI=1S/C25H15N3O5S/c26-12-14-1-5-17(6-2-14)25(30)18(9-15-3-7-19-20(10-15)28-34-27-19)23(24(29)33-25)16-4-8-21-22(11-16)32-13-31-21/h1-8,10-11,30H,9,13H2