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

Systemtic Name: 3-(2,1,3-benzothiadiazol-5-yl)-5-(3,4-dimethylphenyl)-5-oxidanyl-4-(phenylmethyl)furan-2-one Openeye Name: 3-(2,1,3-benzothiadiazol-5-yl)-4-benzyl-5-(3,4-dimethylphenyl)-5-hydroxy-furan-2-one CAS Name: 3-(2,1,3-benzothiadiazol-5-yl)-5-(3,4-dimethylphenyl)-5-hydroxy-4-(phenylmethyl)-2-furanone IUPAC Name: 3-(2,1,3-benzothiadiazol-5-yl)-4-benzyl-5-(3,4-dimethylphenyl)-5-hydroxyfuran-2-one Traditional Name: 4-benzyl-5-(3,4-dimethylphenyl)-5-hydroxy-3-piazthiol-5-yl-furan-2-one Formula: C25H20N2O3S MolecularWeight: 428.5029

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2(C(=C(C(=O)O2)C3=CC4=NSN=C4C=C3)CC5=CC=CC=C5)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2(C(=C(C(=O)O2)C3=CC4=NSN=C4C=C3)CC5=CC=CC=C5)O)C

InChI

InChI=1S/C25H20N2O3S/c1-15-8-10-19(12-16(15)2)25(29)20(13-17-6-4-3-5-7-17)23(24(28)30-25)18-9-11-21-22(14-18)27-31-26-21/h3-12,14,29H,13H2,1-2H3