2-[5-(4-ethynylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonyl-pyridine

Systemtic Name: 2-[5-(4-ethynylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonyl-pyridine Openeye Name: 2-[5-(4-ethynylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonyl-pyridine CAS Name: 2-[5-(4-ethynylphenyl)-3-(trifluoromethyl)-1-pyrazolyl]-5-methylsulfonylpyridine IUPAC Name: 2-[5-(4-ethynylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine Traditional Name: 2-[5-(4-ethynylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-5-mesyl-pyridine Formula: C18H12F3N3O2S MolecularWeight: 391.36699

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CN=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)C#C

Isomeric SMILES

CS(=O)(=O)C1=CN=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)C#C

InChI

InChI=1S/C18H12F3N3O2S/c1-3-12-4-6-13(7-5-12)15-10-16(18(19,20)21)23-24(15)17-9-8-14(11-22-17)27(2,25)26/h1,4-11H,2H3