5-methyl-3-[2-(4-methylphenyl)ethynyl]-2-(4-methylsulfonylphenyl)-1H-pyrrole

Systemtic Name: 5-methyl-3-[2-(4-methylphenyl)ethynyl]-2-(4-methylsulfonylphenyl)-1H-pyrrole Openeye Name: 5-methyl-2-(4-methylsulfonylphenyl)-3-[2-(p-tolyl)ethynyl]-1H-pyrrole CAS Name: 5-methyl-3-[2-(4-methylphenyl)ethynyl]-2-(4-methylsulfonylphenyl)-1H-pyrrole IUPAC Name: 5-methyl-3-[2-(4-methylphenyl)ethynyl]-2-(4-methylsulfonylphenyl)-1H-pyrrole Traditional Name: 2-(4-mesylphenyl)-5-methyl-3-[2-(p-tolyl)ethynyl]-1H-pyrrole Formula: C21H19NO2S MolecularWeight: 349.44606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CC2=C(NC(=C2)C)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C#CC2=C(NC(=C2)C)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H19NO2S/c1-15-4-6-17(7-5-15)8-9-19-14-16(2)22-21(19)18-10-12-20(13-11-18)25(3,23)24/h4-7,10-14,22H,1-3H3