(E)-3-[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-4-methoxy-phenyl]-1-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: (E)-3-[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-4-methoxy-phenyl]-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-3-[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-4-methoxy-phenyl]-1-(2-thienyl)prop-2-en-1-one CAS Name: (E)-3-[3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-4-methoxyphenyl]-1-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-3-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]-1-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-3-[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-4-methoxy-phenyl]-1-(2-thienyl)prop-2-en-1-one Formula: C20H19BrN2O2S MolecularWeight: 431.34606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=C(C=CC(=C2)C=CC(=O)C3=CC=CS3)OC)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=C(C=CC(=C2)/C=C/C(=O)C3=CC=CS3)OC)C)Br

InChI

InChI=1S/C20H19BrN2O2S/c1-13-20(21)14(2)23(22-13)12-16-11-15(7-9-18(16)25-3)6-8-17(24)19-5-4-10-26-19/h4-11H,12H2,1-3H3/b8-6+