3-[5-(2-phenylethynyl)thiophen-2-yl]-1-(phenylsulfonyl)pyrazole

Systemtic Name: 3-[5-(2-phenylethynyl)thiophen-2-yl]-1-(phenylsulfonyl)pyrazole Openeye Name: 1-(benzenesulfonyl)-3-[5-(2-phenylethynyl)-2-thienyl]pyrazole CAS Name: 1-(benzenesulfonyl)-3-[5-(2-phenylethynyl)-2-thiophenyl]pyrazole IUPAC Name: 1-(benzenesulfonyl)-3-[5-(2-phenylethynyl)thiophen-2-yl]pyrazole Traditional Name: 1-besyl-3-[5-(2-phenylethynyl)-2-thienyl]pyrazole Formula: C21H14N2O2S2 MolecularWeight: 390.47806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC=C(S2)C3=NN(C=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=C(S2)C3=NN(C=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H14N2O2S2/c24-27(25,19-9-5-2-6-10-19)23-16-15-20(22-23)21-14-13-18(26-21)12-11-17-7-3-1-4-8-17/h1-10,13-16H