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4-[4-(4-methylsulfanylphenyl)-1-prop-1-ynyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide

4-[4-(4-methylsulfanylphenyl)-1-prop-1-ynyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide

Systemtic Name:4-[4-(4-methylsulfanylphenyl)-1-prop-1-ynyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
Openeye Name:4-[4-(4-methylsulfanylphenyl)-1-prop-1-ynyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
CAS Name:4-[4-[4-(methylthio)phenyl]-1-prop-1-ynyl-5-(trifluoromethyl)-3-pyrazolyl]benzenesulfonamide
IUPAC Name:4-[4-(4-methylsulfanylphenyl)-1-prop-1-ynyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
Traditional Name:4-[4-[4-(methylthio)phenyl]-1-prop-1-ynyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
Formula: C20H16F3N3O2S2
MolecularWeight: 451.48515
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C20H16F3N3O2S2/c1-3-12-26-19(20(21,22)23)17(13-4-8-15(29-2)9-5-13)18(25-26)14-6-10-16(11-7-14)30(24,27)28/h4-11H,1-2H3,(H2,24,27,28)


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