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

Systemtic Name: 5-methylidene-1,3-thiazolidine-2,4-dione; 4-methyl-2-(2-phenoxyethyl)phthalazin-1-one Openeye Name: 5-methylenethiazolidine-2,4-dione; 4-methyl-2-(2-phenoxyethyl)phthalazin-1-one CAS Name: 5-methylenethiazolidine-2,4-dione; 4-methyl-2-(2-phenoxyethyl)-1-phthalazinone IUPAC Name: 5-methylidene-1,3-thiazolidine-2,4-dione; 4-methyl-2-(2-phenoxyethyl)phthalazin-1-one Traditional Name: 5-methylenethiazolidine-2,4-quinone; 4-methyl-2-(2-phenoxyethyl)phthalazin-1-one Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)CCOC3=CC=CC=C3.C=C1C(=O)NC(=O)S1

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)CCOC3=CC=CC=C3.C=C1C(=O)NC(=O)S1

InChI

InChI=1S/C17H16N2O2.C4H3NO2S/c1-13-15-9-5-6-10-16(15)17(20)19(18-13)11-12-21-14-7-3-2-4-8-14;1-2-3(6)5-4(7)8-2/h2-10H,11-12H2,1H3;1H2,(H,5,6,7)