4-(1-benzothiophen-5-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one

Systemtic Name: 4-(1-benzothiophen-5-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one Openeye Name: 4-(benzothiophen-5-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one CAS Name: 4-(1-benzothiophen-5-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-(1-benzothiophen-5-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one Traditional Name: 4-(benzothiophen-5-ylmethyl)-5-(trifluoromethyl)-3-pyrazolin-3-one Formula: C13H9F3N2OS MolecularWeight: 298.28357

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CS2)C=C1CC3=C(NNC3=O)C(F)(F)F

Isomeric SMILES

C1=CC2=C(C=CS2)C=C1CC3=C(NNC3=O)C(F)(F)F

InChI

InChI=1S/C13H9F3N2OS/c14-13(15,16)11-9(12(19)18-17-11)6-7-1-2-10-8(5-7)3-4-20-10/h1-5H,6H2,(H2,17,18,19)