3-methyl-4-[4-(2-methyl-1,3-thiazol-4-yl)-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-ylidene]-5-oxidanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: 3-methyl-4-[4-(2-methyl-1,3-thiazol-4-yl)-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-ylidene]-5-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: 3-hydroxy-5-methyl-4-[4-(2-methylthiazol-4-yl)-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 3-hydroxy-5-methyl-4-[4-(2-methyl-4-thiazolyl)-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 3-hydroxy-5-methyl-4-[4-(2-methyl-1,3-thiazol-4-yl)-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 3-hydroxy-5-methyl-4-[4-(2-methylthiazol-4-yl)-2-phenyl-5-(trifluoromethyl)-3-pyrazolin-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C21H16F3N3O2S MolecularWeight: 431.43085

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C=C(C1=C2C(=C(NN2C3=CC=CC=C3)C(F)(F)F)C4=CSC(=N4)C)O

Isomeric SMILES

CC1=CC(=O)C=C(C1=C2C(=C(NN2C3=CC=CC=C3)C(F)(F)F)C4=CSC(=N4)C)O

InChI

InChI=1S/C21H16F3N3O2S/c1-11-8-14(28)9-16(29)17(11)19-18(15-10-30-12(2)25-15)20(21(22,23)24)26-27(19)13-6-4-3-5-7-13/h3-10,26,29H,1-2H3