1-(4-fluorophenyl)-3-methyl-5-(4-methylsulfonylphenyl)pyrazole; N-methylmethanamine; hydrochloride

Systemtic Name: 1-(4-fluorophenyl)-3-methyl-5-(4-methylsulfonylphenyl)pyrazole; N-methylmethanamine; hydrochloride Openeye Name: 1-(4-fluorophenyl)-3-methyl-5-(4-methylsulfonylphenyl)pyrazole; N-methylmethanamine; hydrochloride CAS Name: 1-(4-fluorophenyl)-3-methyl-5-(4-methylsulfonylphenyl)pyrazole; N-methylmethanamine; hydrochloride IUPAC Name: 1-(4-fluorophenyl)-3-methyl-5-(4-methylsulfonylphenyl)pyrazole; N-methylmethanamine; hydrochloride Traditional Name: dimethylamine; 1-(4-fluorophenyl)-5-(4-mesylphenyl)-3-methyl-pyrazole; hydrochloride Formula: C19H23ClFN3O2S MolecularWeight: 411.921223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)F.CNC.Cl

Isomeric SMILES

CC1=NN(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)F.CNC.Cl

InChI

InChI=1S/C17H15FN2O2S.C2H7N.ClH/c1-12-11-17(13-3-9-16(10-4-13)23(2,21)22)20(19-12)15-7-5-14(18)6-8-15;1-3-2;/h3-11H,1-2H3;3H,1-2H3;1H