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

Systemtic Name: (4E)-5-(4-hexoxyphenyl)-1-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-[oxidanyl(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione Openeye Name: (4E)-5-(4-hexoxyphenyl)-4-[hydroxy(4-pyridyl)methylene]-1-[5-(1-naphthylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione CAS Name: (4E)-5-(4-hexoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-[5-(1-naphthalenylmethylthio)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione IUPAC Name: (4E)-5-(4-hexoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione Traditional Name: (4E)-5-(4-hexoxyphenyl)-4-[hydroxy(4-pyridyl)methylene]-1-[5-(1-naphthylmethylthio)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-quinone Formula: C35H32N4O4S2 MolecularWeight: 636.78298

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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=CC=CC6=CC=CC=C65

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2/C(=C(/C3=CC=NC=C3)\O)/C(=O)C(=O)N2C4=NN=C(S4)SCC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C35H32N4O4S2/c1-2-3-4-7-21-43-27-15-13-24(14-16-27)30-29(31(40)25-17-19-36-20-18-25)32(41)33(42)39(30)34-37-38-35(45-34)44-22-26-11-8-10-23-9-5-6-12-28(23)26/h5-6,8-20,30,40H,2-4,7,21-22H2,1H3/b31-29+