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

Systemtic Name: 3-(2,1,3-benzothiadiazol-5-yl)-5-(4-methylsulfanylphenyl)-4-[(4-nitrophenyl)methyl]-5-oxidanyl-furan-2-one Openeye Name: 3-(2,1,3-benzothiadiazol-5-yl)-5-hydroxy-5-(4-methylsulfanylphenyl)-4-[(4-nitrophenyl)methyl]furan-2-one CAS Name: 3-(2,1,3-benzothiadiazol-5-yl)-5-hydroxy-5-[4-(methylthio)phenyl]-4-[(4-nitrophenyl)methyl]-2-furanone IUPAC Name: 3-(2,1,3-benzothiadiazol-5-yl)-5-hydroxy-5-(4-methylsulfanylphenyl)-4-[(4-nitrophenyl)methyl]furan-2-one Traditional Name: 5-hydroxy-5-[4-(methylthio)phenyl]-4-(4-nitrobenzyl)-3-piazthiol-5-yl-furan-2-one Formula: C24H17N3O5S2 MolecularWeight: 491.53888

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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)[N+](=O)[O-])O

Isomeric SMILES

CSC1=CC=C(C=C1)C2(C(=C(C(=O)O2)C3=CC4=NSN=C4C=C3)CC5=CC=C(C=C5)[N+](=O)[O-])O

InChI

InChI=1S/C24H17N3O5S2/c1-33-18-9-5-16(6-10-18)24(29)19(12-14-2-7-17(8-3-14)27(30)31)22(23(28)32-24)15-4-11-20-21(13-15)26-34-25-20/h2-11,13,29H,12H2,1H3