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

Systemtic Name: (E)-3-(4-bromanylthiophen-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-3-(4-bromo-2-thienyl)-1-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-3-(4-bromo-2-thiophenyl)-1-(1,3,5-trimethyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-3-(4-bromothiophen-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-3-(4-bromo-2-thienyl)-1-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one Formula: C13H13BrN2OS MolecularWeight: 325.22412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C(=O)C=CC2=CC(=CS2)Br

Isomeric SMILES

CC1=C(C(=NN1C)C)C(=O)/C=C/C2=CC(=CS2)Br

InChI

InChI=1S/C13H13BrN2OS/c1-8-13(9(2)16(3)15-8)12(17)5-4-11-6-10(14)7-18-11/h4-7H,1-3H3/b5-4+