(4E)-4-[(2,5-dimethylphenyl)-oxidanyl-methylidene]-1-[5-(phenylmethylsulfanyl)-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-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-pyridin-4-yl-pyrrolidine-2,3-dione Openeye Name: (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[(2,5-dimethylphenyl)-hydroxy-methylene]-5-(4-pyridyl)pyrrolidine-2,3-dione CAS Name: (4E)-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-1-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-5-pyridin-4-ylpyrrolidine-2,3-dione IUPAC Name: (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-5-pyridin-4-ylpyrrolidine-2,3-dione Traditional Name: (4E)-1-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-4-[(2,5-dimethylphenyl)-hydroxy-methylene]-5-(4-pyridyl)pyrrolidine-2,3-quinone Formula: C27H22N4O3S2 MolecularWeight: 514.61858

Click to see the large picture

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=CC=C4)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=CC=C4)C5=CC=NC=C5)/O

InChI

InChI=1S/C27H22N4O3S2/c1-16-8-9-17(2)20(14-16)23(32)21-22(19-10-12-28-13-11-19)31(25(34)24(21)33)26-29-30-27(36-26)35-15-18-6-4-3-5-7-18/h3-14,22,32H,15H2,1-2H3/b23-21+