(3-chloranyl-1-benzothiophen-2-yl)-[(5S)-3-methyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)-[(5S)-3-methyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone Openeye Name: (3-chlorobenzothiophen-2-yl)-[(5S)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone CAS Name: (3-chloro-1-benzothiophen-2-yl)-[(5S)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone IUPAC Name: (3-chloro-1-benzothiophen-2-yl)-[(5S)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone Traditional Name: (3-chlorobenzothiophen-2-yl)-[(5S)-5-hydroxy-3-methyl-5-(trifluoromethyl)-2-pyrazolin-1-yl]methanone Formula: C14H10ClF3N2O2S MolecularWeight: 362.75461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC1=NN([C@](C1)(C(F)(F)F)O)C(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C14H10ClF3N2O2S/c1-7-6-13(22,14(16,17)18)20(19-7)12(21)11-10(15)8-4-2-3-5-9(8)23-11/h2-5,22H,6H2,1H3/t13-/m0/s1