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

Systemtic Name: 2-[4-(5-pyridin-3-ylthiophen-2-yl)but-3-ynyl]isoindole-1,3-dione Openeye Name: 2-[4-[5-(3-pyridyl)-2-thienyl]but-3-ynyl]isoindoline-1,3-dione CAS Name: 2-[4-[5-(3-pyridinyl)-2-thiophenyl]but-3-ynyl]isoindole-1,3-dione IUPAC Name: 2-[4-(5-pyridin-3-ylthiophen-2-yl)but-3-ynyl]isoindole-1,3-dione Traditional Name: 2-[4-[5-(3-pyridyl)-2-thienyl]but-3-ynyl]isoindoline-1,3-quinone Formula: C21H14N2O2S MolecularWeight: 358.41306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14N2O2S/c24-20-17-8-1-2-9-18(17)21(25)23(20)13-4-3-7-16-10-11-19(26-16)15-6-5-12-22-14-15/h1-2,5-6,8-12,14H,4,13H2