phenyl-[3-[5-(2-phenylethynyl)thiophen-2-yl]pyrazol-1-yl]methanone

Systemtic Name: phenyl-[3-[5-(2-phenylethynyl)thiophen-2-yl]pyrazol-1-yl]methanone Openeye Name: phenyl-[3-[5-(2-phenylethynyl)-2-thienyl]pyrazol-1-yl]methanone CAS Name: phenyl-[3-[5-(2-phenylethynyl)-2-thiophenyl]-1-pyrazolyl]methanone IUPAC Name: phenyl-[3-[5-(2-phenylethynyl)thiophen-2-yl]pyrazol-1-yl]methanone Traditional Name: phenyl-[3-[5-(2-phenylethynyl)-2-thienyl]pyrazol-1-yl]methanone Formula: C22H14N2OS MolecularWeight: 354.42436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H14N2OS/c25-22(18-9-5-2-6-10-18)24-16-15-20(23-24)21-14-13-19(26-21)12-11-17-7-3-1-4-8-17/h1-10,13-16H