(4E)-1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[oxidanyl(pyridin-4-yl)methylidene]-5-(3-propoxyphenyl)pyrrolidine-2,3-dione

Systemtic Name: (4E)-1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[oxidanyl(pyridin-4-yl)methylidene]-5-(3-propoxyphenyl)pyrrolidine-2,3-dione Openeye Name: (4E)-1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[hydroxy(4-pyridyl)methylene]-5-(3-propoxyphenyl)pyrrolidine-2,3-dione CAS Name: (4E)-1-[5-[(2,4-dichlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-[hydroxy(pyridin-4-yl)methylidene]-5-(3-propoxyphenyl)pyrrolidine-2,3-dione IUPAC Name: (4E)-1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[hydroxy(pyridin-4-yl)methylidene]-5-(3-propoxyphenyl)pyrrolidine-2,3-dione Traditional Name: (4E)-1-[5-[(2,4-dichlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-4-[hydroxy(4-pyridyl)methylene]-5-(3-propoxyphenyl)pyrrolidine-2,3-quinone Formula: C28H22Cl2N4O4S2 MolecularWeight: 613.53468

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C2C(=C(C3=CC=NC=C3)O)C(=O)C(=O)N2C4=NN=C(S4)SCC5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

CCCOC1=CC=CC(=C1)C2/C(=C(/C3=CC=NC=C3)\O)/C(=O)C(=O)N2C4=NN=C(S4)SCC5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C28H22Cl2N4O4S2/c1-2-12-38-20-5-3-4-17(13-20)23-22(24(35)16-8-10-31-11-9-16)25(36)26(37)34(23)27-32-33-28(40-27)39-15-18-6-7-19(29)14-21(18)30/h3-11,13-14,23,35H,2,12,15H2,1H3/b24-22+