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

Systemtic Name: 4-[[4-(2,1,3-benzothiadiazol-5-yl)-2-(4-methylphenyl)-2-oxidanyl-5-oxidanylidene-furan-3-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2,1,3-benzothiadiazol-5-yl)-2-hydroxy-5-oxo-2-(p-tolyl)-3-furyl]methyl]benzonitrile CAS Name: 4-[[4-(2,1,3-benzothiadiazol-5-yl)-2-hydroxy-2-(4-methylphenyl)-5-oxo-3-furanyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2,1,3-benzothiadiazol-5-yl)-2-hydroxy-2-(4-methylphenyl)-5-oxofuran-3-yl]methyl]benzonitrile Traditional Name: 4-[[2-hydroxy-5-keto-4-piazthiol-5-yl-2-(p-tolyl)-3-furyl]methyl]benzonitrile Formula: C25H17N3O3S MolecularWeight: 439.48578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C25H17N3O3S/c1-15-2-9-19(10-3-15)25(30)20(12-16-4-6-17(14-26)7-5-16)23(24(29)31-25)18-8-11-21-22(13-18)28-32-27-21/h2-11,13,30H,12H2,1H3