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

Systemtic Name: (4E)-1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-(4-hexoxyphenyl)-4-[oxidanyl(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione Openeye Name: (4E)-1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-(4-hexoxyphenyl)-4-[hydroxy(4-pyridyl)methylene]pyrrolidine-2,3-dione CAS Name: (4E)-1-[5-[(2,4-dichlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-5-(4-hexoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione IUPAC Name: (4E)-1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-(4-hexoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione Traditional Name: (4E)-1-[5-[(2,4-dichlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-5-(4-hexoxyphenyl)-4-[hydroxy(4-pyridyl)methylene]pyrrolidine-2,3-quinone Formula: C31H28Cl2N4O4S2 MolecularWeight: 655.61442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=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

CCCCCCOC1=CC=C(C=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/C31H28Cl2N4O4S2/c1-2-3-4-5-16-41-23-10-7-19(8-11-23)26-25(27(38)20-12-14-34-15-13-20)28(39)29(40)37(26)30-35-36-31(43-30)42-18-21-6-9-22(32)17-24(21)33/h6-15,17,26,38H,2-5,16,18H2,1H3/b27-25+