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

Systemtic Name: (4-chlorophenyl)-[3-[5-(2-phenylethynyl)thiophen-2-yl]pyrazol-1-yl]methanone Openeye Name: (4-chlorophenyl)-[3-[5-(2-phenylethynyl)-2-thienyl]pyrazol-1-yl]methanone CAS Name: (4-chlorophenyl)-[3-[5-(2-phenylethynyl)-2-thiophenyl]-1-pyrazolyl]methanone IUPAC Name: (4-chlorophenyl)-[3-[5-(2-phenylethynyl)thiophen-2-yl]pyrazol-1-yl]methanone Traditional Name: (4-chlorophenyl)-[3-[5-(2-phenylethynyl)-2-thienyl]pyrazol-1-yl]methanone Formula: C22H13ClN2OS MolecularWeight: 388.86942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H13ClN2OS/c23-18-9-7-17(8-10-18)22(26)25-15-14-20(24-25)21-13-12-19(27-21)11-6-16-4-2-1-3-5-16/h1-5,7-10,12-15H