5-methylidene-1,3-thiazolidine-2,4-dione; 2-(2-phenoxyethyl)-4-phenyl-phthalazin-1-one

Systemtic Name: 5-methylidene-1,3-thiazolidine-2,4-dione; 2-(2-phenoxyethyl)-4-phenyl-phthalazin-1-one Openeye Name: 5-methylenethiazolidine-2,4-dione; 2-(2-phenoxyethyl)-4-phenyl-phthalazin-1-one CAS Name: 5-methylenethiazolidine-2,4-dione; 2-(2-phenoxyethyl)-4-phenyl-1-phthalazinone IUPAC Name: 5-methylidene-1,3-thiazolidine-2,4-dione; 2-(2-phenoxyethyl)-4-phenylphthalazin-1-one Traditional Name: 5-methylenethiazolidine-2,4-quinone; 2-(2-phenoxyethyl)-4-phenyl-phthalazin-1-one Formula: C26H21N3O4S MolecularWeight: 471.52764

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(=O)NC(=O)S1.C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCOC4=CC=CC=C4

Isomeric SMILES

C=C1C(=O)NC(=O)S1.C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCOC4=CC=CC=C4

InChI

InChI=1S/C22H18N2O2.C4H3NO2S/c25-22-20-14-8-7-13-19(20)21(17-9-3-1-4-10-17)23-24(22)15-16-26-18-11-5-2-6-12-18;1-2-3(6)5-4(7)8-2/h1-14H,15-16H2;1H2,(H,5,6,7)