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

Systemtic Name: (4E)-4-[(2,5-dimethylphenyl)-oxidanyl-methylidene]-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-pyridin-4-yl-pyrrolidine-2,3-dione Openeye Name: (4E)-4-[(2,5-dimethylphenyl)-hydroxy-methylene]-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-(4-pyridyl)pyrrolidine-2,3-dione CAS Name: (4E)-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-1-[5-[(4-fluorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-5-pyridin-4-ylpyrrolidine-2,3-dione IUPAC Name: (4E)-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-pyridin-4-ylpyrrolidine-2,3-dione Traditional Name: (4E)-4-[(2,5-dimethylphenyl)-hydroxy-methylene]-1-[5-[(4-fluorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-5-(4-pyridyl)pyrrolidine-2,3-quinone Formula: C27H21FN4O3S2 MolecularWeight: 532.609043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=C2C(N(C(=O)C2=O)C3=NN=C(S3)SCC4=CC=C(C=C4)F)C5=CC=NC=C5)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)/C(=C\2/C(N(C(=O)C2=O)C3=NN=C(S3)SCC4=CC=C(C=C4)F)C5=CC=NC=C5)/O

InChI

InChI=1S/C27H21FN4O3S2/c1-15-3-4-16(2)20(13-15)23(33)21-22(18-9-11-29-12-10-18)32(25(35)24(21)34)26-30-31-27(37-26)36-14-17-5-7-19(28)8-6-17/h3-13,22,33H,14H2,1-2H3/b23-21+