4-[2-(4-methylsulfonylphenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine

Systemtic Name: 4-[2-(4-methylsulfonylphenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine Openeye Name: 4-[2-(4-methylsulfonylphenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine CAS Name: 4-[2-(4-methylsulfonylphenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine IUPAC Name: 4-[2-(4-methylsulfonylphenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine Traditional Name: 4-[2-(4-mesylphenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine Formula: C16H12N2O2S MolecularWeight: 296.34368

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C#CC2=C3C=CNC3=NC=C2

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C#CC2=C3C=CNC3=NC=C2

InChI

InChI=1S/C16H12N2O2S/c1-21(19,20)14-6-3-12(4-7-14)2-5-13-8-10-17-16-15(13)9-11-18-16/h3-4,6-11H,1H3,(H,17,18)