Product OPENEYE NAME: N-(4-chlorophenyl)-5-phenyl-4-[6-(trifluoromethyl)-3-quinolyl]-3,4-dihydropyrazole-2-carboxamide
CAS Name: N-(4-chlorophenyl)-5-phenyl-4-[6-(trifluoromethyl)-3-quinolinyl]-3,4-dihydropyrazole-2-carboxamide
IUPAC NAME: N-(4-chlorophenyl)-5-phenyl-4-[6-(trifluoromethyl)quinolin-3-yl]-3,4-dihydropyrazole-2-carboxamide
SYSTEMATIC NAME: N-(4-chlorophenyl)-5-phenyl-4-[6-(trifluoromethyl)quinolin-3-yl]-3,4-dihydropyrazole-2-carboxamide
MOLECULAR FORMULA: C26H18ClF3N4O
MOLECULAR WEIGHT: 494.89553
SMILES: C1C(C(=NN1C(=O)NC2=CC=C(C=C2)Cl)C3=CC=CC=C3)C4=CN=C5C=CC(=CC5=C4)C(F)(F)F
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Product OPENEYE NAME: 2-(5-chloro-2-pyridyl)-1-(4-fluorophenyl)prop-2-en-1-one
CAS Name: 2-(5-chloro-2-pyridinyl)-1-(4-fluorophenyl)-2-propen-1-one
IUPAC NAME: 2-(5-chloropyridin-2-yl)-1-(4-fluorophenyl)prop-2-en-1-one
SYSTEMATIC NAME: 2-(5-chloranylpyridin-2-yl)-1-(4-fluorophenyl)prop-2-en-1-one
MOLECULAR FORMULA: C14H9ClFNO
MOLECULAR WEIGHT: 261.678763
SMILES: C=C(C1=NC=C(C=C1)Cl)C(=O)C2=CC=C(C=C2)F
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Product OPENEYE NAME: nitric acid trihydrate
CAS Name: nitric acid trihydrate
IUPAC NAME: nitric acid trihydrate
SYSTEMATIC NAME: nitric acid trihydrate
MOLECULAR FORMULA: H7NO6
MOLECULAR WEIGHT: 117.05868
SMILES: [N+](=O)(O)[O-].O.O.O
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Product OPENEYE NAME: 3,3-bis(methylsulfanyl)-1-phenyl-2-(triazol-1-yl)prop-2-en-1-one
CAS Name: 3,3-bis(methylthio)-1-phenyl-2-(1-triazolyl)-2-propen-1-one
IUPAC NAME: 3,3-bis(methylsulfanyl)-1-phenyl-2-(triazol-1-yl)prop-2-en-1-one
SYSTEMATIC NAME: 3,3-bis(methylsulfanyl)-1-phenyl-2-(1,2,3-triazol-1-yl)prop-2-en-1-one
MOLECULAR FORMULA: C13H13N3OS2
MOLECULAR WEIGHT: 291.39182
SMILES: CSC(=C(C(=O)C1=CC=CC=C1)N2C=CN=N2)SC
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Product OPENEYE NAME: 1-(4-chlorophenyl)-3,3-bis(isopropylsulfanyl)-2-(triazol-1-yl)prop-2-en-1-one
CAS Name: 1-(4-chlorophenyl)-3,3-bis(propan-2-ylthio)-2-(1-triazolyl)-2-propen-1-one
IUPAC NAME: 1-(4-chlorophenyl)-3,3-bis(propan-2-ylsulfanyl)-2-(triazol-1-yl)prop-2-en-1-one
SYSTEMATIC NAME: 1-(4-chlorophenyl)-3,3-bis(propan-2-ylsulfanyl)-2-(1,2,3-triazol-1-yl)prop-2-en-1-one
MOLECULAR FORMULA: C17H20ClN3OS2
MOLECULAR WEIGHT: 381.9432
SMILES: CC(C)SC(=C(C(=O)C1=CC=C(C=C1)Cl)N2C=CN=N2)SC(C)C
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Product OPENEYE NAME: 2-[(3Z)-6-fluoro-2-methyl-3-[methylsulfonyl(phenyl)methylene]inden-1-yl]acetic acid
CAS Name: 2-[(3Z)-6-fluoro-2-methyl-3-[methylsulfonyl(phenyl)methylidene]-1-indenyl]acetic acid
IUPAC NAME: 2-[(3Z)-6-fluoro-2-methyl-3-[methylsulfonyl(phenyl)methylidene]inden-1-yl]acetic acid
SYSTEMATIC NAME: 2-[(3Z)-6-fluoranyl-2-methyl-3-[methylsulfonyl(phenyl)methylidene]inden-1-yl]ethanoic acid
MOLECULAR FORMULA: C20H17FO4S
MOLECULAR WEIGHT: 372.409983
SMILES: CC\1=C(C2=C(/C1=C(/C3=CC=CC=C3)\S(=O)(=O)C)C=CC(=C2)F)CC(=O)O
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Product OPENEYE NAME: 3-[(3Z)-5,6-difluoro-2-methyl-3-[methylsulfonyl(phenyl)methylene]inden-1-yl]propanoic acid
CAS Name: 3-[(3Z)-5,6-difluoro-2-methyl-3-[methylsulfonyl(phenyl)methylidene]-1-indenyl]propanoic acid
IUPAC NAME: 3-[(3Z)-5,6-difluoro-2-methyl-3-[methylsulfonyl(phenyl)methylidene]inden-1-yl]propanoic acid
SYSTEMATIC NAME: 3-[(3Z)-5,6-bis(fluoranyl)-2-methyl-3-[methylsulfonyl(phenyl)methylidene]inden-1-yl]propanoic acid
MOLECULAR FORMULA: C21H18F2O4S
MOLECULAR WEIGHT: 404.427026
SMILES: CC\1=C(C2=CC(=C(C=C2/C1=C(/C3=CC=CC=C3)\S(=O)(=O)C)F)F)CCC(=O)O
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Product OPENEYE NAME: 2-[(3Z)-6-fluoro-2-methyl-3-[methylsulfinyl(phenyl)methylene]inden-1-yl]acetaldehyde
CAS Name: 2-[(3Z)-6-fluoro-2-methyl-3-[methylsulfinyl(phenyl)methylidene]-1-indenyl]acetaldehyde
IUPAC NAME: 2-[(3Z)-6-fluoro-2-methyl-3-[methylsulfinyl(phenyl)methylidene]inden-1-yl]acetaldehyde
SYSTEMATIC NAME: 2-[(3Z)-6-fluoranyl-2-methyl-3-[methylsulfinyl(phenyl)methylidene]inden-1-yl]ethanal
MOLECULAR FORMULA: C20H17FO2S
MOLECULAR WEIGHT: 340.411183
SMILES: CC\1=C(C2=C(/C1=C(/C3=CC=CC=C3)\S(=O)C)C=CC(=C2)F)CC=O
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Product OPENEYE NAME: calcium 2-[(3Z)-6-fluoro-2-methyl-3-[methylsulfonyl(phenyl)methylene]inden-1-yl]acetate
CAS Name: calcium 2-[(3Z)-6-fluoro-2-methyl-3-[methylsulfonyl(phenyl)methylidene]-1-indenyl]acetate
IUPAC NAME: calcium 2-[(3Z)-6-fluoro-2-methyl-3-[methylsulfonyl(phenyl)methylidene]inden-1-yl]acetate
SYSTEMATIC NAME: calcium 2-[(3Z)-6-fluoranyl-2-methyl-3-[methylsulfonyl(phenyl)methylidene]inden-1-yl]ethanoate
MOLECULAR FORMULA: C40H32CaF2O8S2
MOLECULAR WEIGHT: 782.882086
SMILES: CC\1=C(C2=C(/C1=C(\S(=O)(=O)C)/C3=CC=CC=C3)C=CC(=C2)F)CC(=O)[O-].CC\1=C(C2=C(/C1=C(\S(=O)(=O)C)/C3=CC=CC=C3)C=CC(=C2)F)CC(=O)[O-].[Ca+2]
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Product OPENEYE NAME: 2-[(3E)-3-[ethylsulfonyl(phenyl)methylene]-6-methoxy-2-methyl-inden-1-yl]acetic acid
CAS Name: 2-[(3E)-3-[ethylsulfonyl(phenyl)methylidene]-6-methoxy-2-methyl-1-indenyl]acetic acid
IUPAC NAME: 2-[(3E)-3-[ethylsulfonyl(phenyl)methylidene]-6-methoxy-2-methylinden-1-yl]acetic acid
SYSTEMATIC NAME: 2-[(3E)-3-[ethylsulfonyl(phenyl)methylidene]-6-methoxy-2-methyl-inden-1-yl]ethanoic acid
MOLECULAR FORMULA: C22H22O5S
MOLECULAR WEIGHT: 398.47208
SMILES: CCS(=O)(=O)/C(=C/1\C(=C(C2=C1C=CC(=C2)OC)CC(=O)O)C)/C3=CC=CC=C3
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Product OPENEYE NAME: 2-[(3Z)-4,6-difluoro-2-methyl-3-[methylsulfonyl(phenyl)methylene]inden-1-yl]acetic acid
CAS Name: 2-[(3Z)-4,6-difluoro-2-methyl-3-[methylsulfonyl(phenyl)methylidene]-1-indenyl]acetic acid
IUPAC NAME: 2-[(3Z)-4,6-difluoro-2-methyl-3-[methylsulfonyl(phenyl)methylidene]inden-1-yl]acetic acid
SYSTEMATIC NAME: 2-[(3Z)-4,6-bis(fluoranyl)-2-methyl-3-[methylsulfonyl(phenyl)methylidene]inden-1-yl]ethanoic acid
MOLECULAR FORMULA: C20H16F2O4S
MOLECULAR WEIGHT: 390.400446
SMILES: CC\1=C(C2=CC(=CC(=C2/C1=C(/C3=CC=CC=C3)\S(=O)(=O)C)F)F)CC(=O)O
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Product OPENEYE NAME: 2-[(3E)-2,5,6-trimethyl-3-[methylsulfonyl(phenyl)methylene]inden-1-yl]acetic acid
CAS Name: 2-[(3E)-2,5,6-trimethyl-3-[methylsulfonyl(phenyl)methylidene]-1-indenyl]acetic acid
IUPAC NAME: 2-[(3E)-2,5,6-trimethyl-3-[methylsulfonyl(phenyl)methylidene]inden-1-yl]acetic acid
SYSTEMATIC NAME: 2-[(3E)-2,5,6-trimethyl-3-[methylsulfonyl(phenyl)methylidene]inden-1-yl]ethanoic acid
MOLECULAR FORMULA: C22H22O4S
MOLECULAR WEIGHT: 382.47268
SMILES: CC1=C(C=C\2C(=C1)C(=C(/C2=C(/C3=CC=CC=C3)\S(=O)(=O)C)C)CC(=O)O)C
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Product OPENEYE NAME: 2-[(3Z)-6-hydroxy-2-methyl-3-[methylsulfonyl(phenyl)methylene]inden-1-yl]acetic acid
CAS Name: 2-[(3Z)-6-hydroxy-2-methyl-3-[methylsulfonyl(phenyl)methylidene]-1-indenyl]acetic acid
IUPAC NAME: 2-[(3Z)-6-hydroxy-2-methyl-3-[methylsulfonyl(phenyl)methylidene]inden-1-yl]acetic acid
SYSTEMATIC NAME: 2-[(3Z)-2-methyl-3-[methylsulfonyl(phenyl)methylidene]-6-oxidanyl-inden-1-yl]ethanoic acid
MOLECULAR FORMULA: C20H18O5S
MOLECULAR WEIGHT: 370.41892
SMILES: CC\1=C(C2=C(/C1=C(/C3=CC=CC=C3)\S(=O)(=O)C)C=CC(=C2)O)CC(=O)O
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Product OPENEYE NAME: (1Z)-5-fluoro-6-methoxy-2-methyl-1-[methylsulfinyl(phenyl)methylene]indene
CAS Name: (1Z)-5-fluoro-6-methoxy-2-methyl-1-[methylsulfinyl(phenyl)methylidene]indene
IUPAC NAME: (1Z)-5-fluoro-6-methoxy-2-methyl-1-[methylsulfinyl(phenyl)methylidene]indene
SYSTEMATIC NAME: (1Z)-5-fluoranyl-6-methoxy-2-methyl-1-[methylsulfinyl(phenyl)methylidene]indene
MOLECULAR FORMULA: C19H17FO2S
MOLECULAR WEIGHT: 328.400483
SMILES: CC\1=CC2=CC(=C(C=C2/C1=C(/C3=CC=CC=C3)\S(=O)C)OC)F
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Product OPENEYE NAME: (1Z)-N,N,2-trimethyl-1-[methylsulfonyl(phenyl)methylene]inden-5-amine
CAS Name: (1Z)-N,N,2-trimethyl-1-[methylsulfonyl(phenyl)methylidene]-5-indenamine
IUPAC NAME: (1Z)-N,N,2-trimethyl-1-[methylsulfonyl(phenyl)methylidene]inden-5-amine
SYSTEMATIC NAME: (1Z)-N,N,2-trimethyl-1-[methylsulfonyl(phenyl)methylidene]inden-5-amine
MOLECULAR FORMULA: C20H21NO2S
MOLECULAR WEIGHT: 339.45124
SMILES: CC\1=CC2=C(/C1=C(/C3=CC=CC=C3)\S(=O)(=O)C)C=CC(=C2)N(C)C
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Product OPENEYE NAME: 2-[(3Z)-2-methyl-3-[methylsulfonyl(phenyl)methylene]-5-sulfanyl-inden-1-yl]acetic acid
CAS Name: 2-[(3Z)-5-mercapto-2-methyl-3-[methylsulfonyl(phenyl)methylidene]-1-indenyl]acetic acid
IUPAC NAME: 2-[(3Z)-2-methyl-3-[methylsulfonyl(phenyl)methylidene]-5-sulfanylinden-1-yl]acetic acid
SYSTEMATIC NAME: 2-[(3Z)-2-methyl-3-[methylsulfonyl(phenyl)methylidene]-5-sulfanyl-inden-1-yl]ethanoic acid
MOLECULAR FORMULA: C20H18O4S2
MOLECULAR WEIGHT: 386.48452
SMILES: CC\1=C(C2=C(/C1=C(/C3=CC=CC=C3)\S(=O)(=O)C)C=C(C=C2)S)CC(=O)O
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