(E)-1-[5-(4-chlorophenyl)-3-thiophen-2-yl-pyrazol-1-yl]but-2-en-1-one

Systemtic Name: (E)-1-[5-(4-chlorophenyl)-3-thiophen-2-yl-pyrazol-1-yl]but-2-en-1-one Openeye Name: (E)-1-[5-(4-chlorophenyl)-3-(2-thienyl)pyrazol-1-yl]but-2-en-1-one CAS Name: (E)-1-[5-(4-chlorophenyl)-3-thiophen-2-yl-1-pyrazolyl]-2-buten-1-one IUPAC Name: (E)-1-[5-(4-chlorophenyl)-3-thiophen-2-ylpyrazol-1-yl]but-2-en-1-one Traditional Name: (E)-1-[5-(4-chlorophenyl)-3-(2-thienyl)pyrazol-1-yl]but-2-en-1-one Formula: C17H13ClN2OS MolecularWeight: 328.81592

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)N1C(=CC(=N1)C2=CC=CS2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C/C=C/C(=O)N1C(=CC(=N1)C2=CC=CS2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H13ClN2OS/c1-2-4-17(21)20-15(12-6-8-13(18)9-7-12)11-14(19-20)16-5-3-10-22-16/h2-11H,1H3/b4-2+