1-[[5-[4-(2-pyren-1-ylethynyl)phenyl]thiophen-2-yl]methyl]pyrrole-2,5-dione

Systemtic Name: 1-[[5-[4-(2-pyren-1-ylethynyl)phenyl]thiophen-2-yl]methyl]pyrrole-2,5-dione Openeye Name: 1-[[5-[4-(2-pyren-1-ylethynyl)phenyl]-2-thienyl]methyl]pyrrole-2,5-dione CAS Name: 1-[[5-[4-[2-(1-pyrenyl)ethynyl]phenyl]-2-thiophenyl]methyl]pyrrole-2,5-dione IUPAC Name: 1-[[5-[4-(2-pyren-1-ylethynyl)phenyl]thiophen-2-yl]methyl]pyrrole-2,5-dione Traditional Name: 1-[[5-[4-(2-pyren-1-ylethynyl)phenyl]-2-thienyl]methyl]-3-pyrroline-2,5-quinone Formula: C33H19NO2S MolecularWeight: 493.57446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C#CC5=CC=C(C=C5)C6=CC=C(S6)CN7C(=O)C=CC7=O

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C#CC5=CC=C(C=C5)C6=CC=C(S6)CN7C(=O)C=CC7=O

InChI

InChI=1S/C33H19NO2S/c35-30-18-19-31(36)34(30)20-27-15-17-29(37-27)23-8-5-21(6-9-23)4-7-22-10-11-26-13-12-24-2-1-3-25-14-16-28(22)33(26)32(24)25/h1-3,5-6,8-19H,20H2