(E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-1-(4-methylsulfonylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-1-(4-methylsulfonylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-1-(4-methylsulfonylphenyl)prop-2-en-1-one CAS Name: (E)-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-1-(4-methylsulfonylphenyl)-2-propen-1-one IUPAC Name: (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-1-(4-methylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-1-(4-mesylphenyl)prop-2-en-1-one Formula: C20H17ClN2O3S MolecularWeight: 400.87858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)C)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)C)Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H17ClN2O3S/c1-14-18(20(21)23(22-14)16-6-4-3-5-7-16)12-13-19(24)15-8-10-17(11-9-15)27(2,25)26/h3-13H,1-2H3/b13-12+