(5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone

Systemtic Name: (5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone Openeye Name: (5-cyclopropyl-3-methylsulfanyl-isoxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone CAS Name: [5-cyclopropyl-3-(methylthio)-4-isoxazolyl]-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone IUPAC Name: (5-cyclopropyl-3-methylsulfanyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone Traditional Name: [5-cyclopropyl-3-(methylthio)isoxazol-4-yl]-[2-mesyl-4-(trifluoromethyl)phenyl]methanone Formula: C16H14F3NO4S2 MolecularWeight: 405.41187

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NOC(=C1C(=O)C2=C(C=C(C=C2)C(F)(F)F)S(=O)(=O)C)C3CC3

Isomeric SMILES

CSC1=NOC(=C1C(=O)C2=C(C=C(C=C2)C(F)(F)F)S(=O)(=O)C)C3CC3

InChI

InChI=1S/C16H14F3NO4S2/c1-25-15-12(14(24-20-15)8-3-4-8)13(21)10-6-5-9(16(17,18)19)7-11(10)26(2,22)23/h5-8H,3-4H2,1-2H3