(E)-3-(4-bromanylthiophen-2-yl)-1-(2,5-dimethylpyrazol-3-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(4-bromanylthiophen-2-yl)-1-(2,5-dimethylpyrazol-3-yl)prop-2-en-1-one Openeye Name: (E)-3-(4-bromo-2-thienyl)-1-(2,5-dimethylpyrazol-3-yl)prop-2-en-1-one CAS Name: (E)-3-(4-bromo-2-thiophenyl)-1-(2,5-dimethyl-3-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-3-(4-bromothiophen-2-yl)-1-(2,5-dimethylpyrazol-3-yl)prop-2-en-1-one Traditional Name: (E)-3-(4-bromo-2-thienyl)-1-(2,5-dimethylpyrazol-3-yl)prop-2-en-1-one Formula: C12H11BrN2OS MolecularWeight: 311.19754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)C=CC2=CC(=CS2)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C12H11BrN2OS/c1-8-5-11(15(2)14-8)12(16)4-3-10-6-9(13)7-17-10/h3-7H,1-2H3/b4-3+