(E)-1-(4-bromanylthiophen-2-yl)-3-(1-ethyl-3-methyl-pyrazol-4-yl)prop-2-en-1-one

Systemtic Name: (E)-1-(4-bromanylthiophen-2-yl)-3-(1-ethyl-3-methyl-pyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-1-(4-bromo-2-thienyl)-3-(1-ethyl-3-methyl-pyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-1-(4-bromo-2-thiophenyl)-3-(1-ethyl-3-methyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-1-(4-bromothiophen-2-yl)-3-(1-ethyl-3-methylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-(4-bromo-2-thienyl)-3-(1-ethyl-3-methyl-pyrazol-4-yl)prop-2-en-1-one Formula: C13H13BrN2OS MolecularWeight: 325.22412

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C=CC(=O)C2=CC(=CS2)Br

Isomeric SMILES

CCN1C=C(C(=N1)C)/C=C/C(=O)C2=CC(=CS2)Br

InChI

InChI=1S/C13H13BrN2OS/c1-3-16-7-10(9(2)15-16)4-5-12(17)13-6-11(14)8-18-13/h4-8H,3H2,1-2H3/b5-4+