2-[4-(2-pyridin-3-yl-1,3-thiazol-5-yl)but-3-ynyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(2-pyridin-3-yl-1,3-thiazol-5-yl)but-3-ynyl]isoindole-1,3-dione Openeye Name: 2-[4-[2-(3-pyridyl)thiazol-5-yl]but-3-ynyl]isoindoline-1,3-dione CAS Name: 2-[4-[2-(3-pyridinyl)-5-thiazolyl]but-3-ynyl]isoindole-1,3-dione IUPAC Name: 2-[4-(2-pyridin-3-yl-1,3-thiazol-5-yl)but-3-ynyl]isoindole-1,3-dione Traditional Name: 2-[4-[2-(3-pyridyl)thiazol-5-yl]but-3-ynyl]isoindoline-1,3-quinone Formula: C20H13N3O2S MolecularWeight: 359.40112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC#CC3=CN=C(S3)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC#CC3=CN=C(S3)C4=CN=CC=C4

InChI

InChI=1S/C20H13N3O2S/c24-19-16-8-1-2-9-17(16)20(25)23(19)11-4-3-7-15-13-22-18(26-15)14-6-5-10-21-12-14/h1-2,5-6,8-10,12-13H,4,11H2