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

Systemtic Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-(2-thienyl)prop-2-en-1-one CAS Name: (E)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-(2-thienyl)prop-2-en-1-one Formula: C18H16N2OS MolecularWeight: 308.39744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)C3=CC=CS3

InChI

InChI=1S/C18H16N2OS/c1-13-16(10-11-17(21)18-9-6-12-22-18)14(2)20(19-13)15-7-4-3-5-8-15/h3-12H,1-2H3/b11-10+