3-(2,1,3-benzothiadiazol-5-yl)-5-(4-methylsulfanylphenyl)-5-oxidanyl-4-(phenylmethyl)furan-2-one

Systemtic Name: 3-(2,1,3-benzothiadiazol-5-yl)-5-(4-methylsulfanylphenyl)-5-oxidanyl-4-(phenylmethyl)furan-2-one Openeye Name: 3-(2,1,3-benzothiadiazol-5-yl)-4-benzyl-5-hydroxy-5-(4-methylsulfanylphenyl)furan-2-one CAS Name: 3-(2,1,3-benzothiadiazol-5-yl)-5-hydroxy-5-[4-(methylthio)phenyl]-4-(phenylmethyl)-2-furanone IUPAC Name: 3-(2,1,3-benzothiadiazol-5-yl)-4-benzyl-5-hydroxy-5-(4-methylsulfanylphenyl)furan-2-one Traditional Name: 4-benzyl-5-hydroxy-5-[4-(methylthio)phenyl]-3-piazthiol-5-yl-furan-2-one Formula: C24H18N2O3S2 MolecularWeight: 446.54132

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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=CC=C5)O

Isomeric SMILES

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

InChI

InChI=1S/C24H18N2O3S2/c1-30-18-10-8-17(9-11-18)24(28)19(13-15-5-3-2-4-6-15)22(23(27)29-24)16-7-12-20-21(14-16)26-31-25-20/h2-12,14,28H,13H2,1H3