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

Systemtic Name: 4-[[4-(2,1,3-benzothiadiazol-5-yl)-2-(4-methylsulfanylphenyl)-2-oxidanyl-5-oxidanylidene-furan-3-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2,1,3-benzothiadiazol-5-yl)-2-hydroxy-2-(4-methylsulfanylphenyl)-5-oxo-3-furyl]methyl]benzonitrile CAS Name: 4-[[4-(2,1,3-benzothiadiazol-5-yl)-2-hydroxy-2-[4-(methylthio)phenyl]-5-oxo-3-furanyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2,1,3-benzothiadiazol-5-yl)-2-hydroxy-2-(4-methylsulfanylphenyl)-5-oxofuran-3-yl]methyl]benzonitrile Traditional Name: 4-[[2-hydroxy-5-keto-2-[4-(methylthio)phenyl]-4-piazthiol-5-yl-3-furyl]methyl]benzonitrile Formula: C25H17N3O3S2 MolecularWeight: 471.55078

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2(C(=C(C(=O)O2)C3=CC4=NSN=C4C=C3)CC5=CC=C(C=C5)C#N)O

Isomeric SMILES

CSC1=CC=C(C=C1)C2(C(=C(C(=O)O2)C3=CC4=NSN=C4C=C3)CC5=CC=C(C=C5)C#N)O

InChI

InChI=1S/C25H17N3O3S2/c1-32-19-9-7-18(8-10-19)25(30)20(12-15-2-4-16(14-26)5-3-15)23(24(29)31-25)17-6-11-21-22(13-17)28-33-27-21/h2-11,13,30H,12H2,1H3