(E)-3-(1-methylpyrazol-4-yl)-1-(4-methylsulfonylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(1-methylpyrazol-4-yl)-1-(4-methylsulfonylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(1-methylpyrazol-4-yl)-1-(4-methylsulfonylphenyl)prop-2-en-1-one CAS Name: (E)-3-(1-methyl-4-pyrazolyl)-1-(4-methylsulfonylphenyl)-2-propen-1-one IUPAC Name: (E)-3-(1-methylpyrazol-4-yl)-1-(4-methylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-mesylphenyl)-3-(1-methylpyrazol-4-yl)prop-2-en-1-one Formula: C14H14N2O3S MolecularWeight: 290.33756

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CN1C=C(C=N1)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C14H14N2O3S/c1-16-10-11(9-15-16)3-8-14(17)12-4-6-13(7-5-12)20(2,18)19/h3-10H,1-2H3/b8-3+