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

Systemtic Name: 4-[[4-(2,1,3-benzothiadiazol-5-yl)-2-oxidanyl-5-oxidanylidene-2-(4-phenylmethoxyphenyl)furan-3-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2,1,3-benzothiadiazol-5-yl)-2-(4-benzyloxyphenyl)-2-hydroxy-5-oxo-3-furyl]methyl]benzonitrile CAS Name: 4-[[4-(2,1,3-benzothiadiazol-5-yl)-2-hydroxy-5-oxo-2-(4-phenylmethoxyphenyl)-3-furanyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2,1,3-benzothiadiazol-5-yl)-2-hydroxy-5-oxo-2-(4-phenylmethoxyphenyl)furan-3-yl]methyl]benzonitrile Traditional Name: 4-[[2-(4-benzoxyphenyl)-2-hydroxy-5-keto-4-piazthiol-5-yl-3-furyl]methyl]benzonitrile Formula: C31H21N3O4S MolecularWeight: 531.58114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3(C(=C(C(=O)O3)C4=CC5=NSN=C5C=C4)CC6=CC=C(C=C6)C#N)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3(C(=C(C(=O)O3)C4=CC5=NSN=C5C=C4)CC6=CC=C(C=C6)C#N)O

InChI

InChI=1S/C31H21N3O4S/c32-18-21-8-6-20(7-9-21)16-26-29(23-10-15-27-28(17-23)34-39-33-27)30(35)38-31(26,36)24-11-13-25(14-12-24)37-19-22-4-2-1-3-5-22/h1-15,17,36H,16,19H2