4-[4-(4-methylsulfonylphenyl)-1-prop-1-ynyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine

Systemtic Name: 4-[4-(4-methylsulfonylphenyl)-1-prop-1-ynyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine Openeye Name: 4-[4-(4-methylsulfonylphenyl)-1-prop-1-ynyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine CAS Name: 4-[4-(4-methylsulfonylphenyl)-1-prop-1-ynyl-5-(trifluoromethyl)-3-pyrazolyl]pyridine IUPAC Name: 4-[4-(4-methylsulfonylphenyl)-1-prop-1-ynyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine Traditional Name: 4-[4-(4-mesylphenyl)-1-prop-1-ynyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine Formula: C19H14F3N3O2S MolecularWeight: 405.39357

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Descriptors Computed from Structure

Canonical SMILES:

CC#CN1C(=C(C(=N1)C2=CC=NC=C2)C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F

Isomeric SMILES

CC#CN1C(=C(C(=N1)C2=CC=NC=C2)C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F

InChI

InChI=1S/C19H14F3N3O2S/c1-3-12-25-18(19(20,21)22)16(17(24-25)14-8-10-23-11-9-14)13-4-6-15(7-5-13)28(2,26)27/h4-11H,1-2H3