1-(4-methylphenyl)sulfonyl-3-[5-(2-phenylethynyl)thiophen-2-yl]pyrazole

Systemtic Name: 1-(4-methylphenyl)sulfonyl-3-[5-(2-phenylethynyl)thiophen-2-yl]pyrazole Openeye Name: 3-[5-(2-phenylethynyl)-2-thienyl]-1-(p-tolylsulfonyl)pyrazole CAS Name: 1-(4-methylphenyl)sulfonyl-3-[5-(2-phenylethynyl)-2-thiophenyl]pyrazole IUPAC Name: 1-(4-methylphenyl)sulfonyl-3-[5-(2-phenylethynyl)thiophen-2-yl]pyrazole Traditional Name: 3-[5-(2-phenylethynyl)-2-thienyl]-1-tosyl-pyrazole Formula: C22H16N2O2S2 MolecularWeight: 404.50464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=N2)C3=CC=C(S3)C#CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=N2)C3=CC=C(S3)C#CC4=CC=CC=C4

InChI

InChI=1S/C22H16N2O2S2/c1-17-7-12-20(13-8-17)28(25,26)24-16-15-21(23-24)22-14-11-19(27-22)10-9-18-5-3-2-4-6-18/h2-8,11-16H,1H3