(E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-1-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-1-(2-thienyl)prop-2-en-1-one CAS Name: (E)-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-1-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-1-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-1-(2-thienyl)prop-2-en-1-one Formula: C17H13ClN2OS MolecularWeight: 328.81592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)C2=CC=CS2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)C2=CC=CS2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C17H13ClN2OS/c1-12-14(9-10-15(21)16-8-5-11-22-16)17(18)20(19-12)13-6-3-2-4-7-13/h2-11H,1H3/b10-9+