Product OPENEYE NAME: 4-(3-tert-butyl-N-methyl-anilino)butanoic acid
CAS Name: 4-(3-tert-butyl-N-methylanilino)butanoic acid
IUPAC NAME: 4-(3-tert-butyl-N-methylanilino)butanoic acid
SYSTEMATIC NAME: 4-[(3-tert-butylphenyl)-methyl-amino]butanoic acid
MOLECULAR FORMULA: C15H23NO2
MOLECULAR WEIGHT: 249.34862
SMILES: CC(C)(C)C1=CC(=CC=C1)N(C)CCCC(=O)O
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Product OPENEYE NAME: 6-(N-methylanilino)hexanoate
CAS Name: 6-(N-methylanilino)hexanoate
IUPAC NAME: 6-(N-methylanilino)hexanoate
SYSTEMATIC NAME: 6-[methyl(phenyl)amino]hexanoate
MOLECULAR FORMULA: C13H18NO2-
MOLECULAR WEIGHT: 220.28752
SMILES: CN(CCCCCC(=O)[O-])C1=CC=CC=C1
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Product OPENEYE NAME: 1-amino-2-sulfosulfanyl-benzene; ethyl 4-(methylamino)butanoate
CAS Name: 1-amino-2-(sulfothio)benzene; 4-(methylamino)butanoic acid ethyl ester
IUPAC NAME: 1-amino-2-sulfosulfanylbenzene; ethyl 4-(methylamino)butanoate
SYSTEMATIC NAME: 1-azanyl-2-sulfosulfanyl-benzene; ethyl 4-(methylamino)butanoate
MOLECULAR FORMULA: C13H22N2O5S2
MOLECULAR WEIGHT: 350.45418
SMILES: CCOC(=O)CCCNC.C1=CC=C(C(=C1)N)SS(=O)(=O)O
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Product OPENEYE NAME: 1-amino-2-sulfosulfanyl-benzene; tert-butyl 4-(methylamino)butanoate
CAS Name: 1-amino-2-(sulfothio)benzene; 4-(methylamino)butanoic acid tert-butyl ester
IUPAC NAME: 1-amino-2-sulfosulfanylbenzene; tert-butyl 4-(methylamino)butanoate
SYSTEMATIC NAME: 1-azanyl-2-sulfosulfanyl-benzene; tert-butyl 4-(methylamino)butanoate
MOLECULAR FORMULA: C15H26N2O5S2
MOLECULAR WEIGHT: 378.50734
SMILES: CC(C)(C)OC(=O)CCCNC.C1=CC=C(C(=C1)N)SS(=O)(=O)O
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Product OPENEYE NAME: 5-(N-methylanilino)pentanoate
CAS Name: 5-(N-methylanilino)pentanoate
IUPAC NAME: 5-(N-methylanilino)pentanoate
SYSTEMATIC NAME: 5-[methyl(phenyl)amino]pentanoate
MOLECULAR FORMULA: C12H16NO2-
MOLECULAR WEIGHT: 206.26094
SMILES: CN(CCCCC(=O)[O-])C1=CC=CC=C1
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Product OPENEYE NAME: 3-butyl-1-(2-ethylhexyl)-1-iodo-urea; trifluoromethanesulfonate
CAS Name: 3-butyl-1-(2-ethylhexyl)-1-iodourea; trifluoromethanesulfonate
IUPAC NAME: 3-butyl-1-(2-ethylhexyl)-1-iodourea; trifluoromethanesulfonate
SYSTEMATIC NAME: 3-butyl-1-(2-ethylhexyl)-1-iodanyl-urea; tris(fluoranyl)methanesulfonate
MOLECULAR FORMULA: C14H27F3IN2O4S-
MOLECULAR WEIGHT: 503.33986
SMILES: CCCCC(CC)CN(C(=O)NCCCC)I.C(F)(F)(F)S(=O)(=O)[O-]
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Product OPENEYE NAME: 3-butyl-1-(2-ethylhexyl)-1-iodo-urea
CAS Name: 3-butyl-1-(2-ethylhexyl)-1-iodourea
IUPAC NAME: 3-butyl-1-(2-ethylhexyl)-1-iodourea
SYSTEMATIC NAME: 3-butyl-1-(2-ethylhexyl)-1-iodanyl-urea
MOLECULAR FORMULA: C13H27IN2O
MOLECULAR WEIGHT: 354.27075
SMILES: CCCCC(CC)CN(C(=O)NCCCC)I
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Product OPENEYE NAME: 2-(2,4-difluorophenyl)-4-[(E)-1-methylprop-1-enyl]sulfonyl-1-phenyl-1-(1,2,4-triazol-1-yl)piperazin-1-ium
CAS Name: 4-[(E)-but-2-en-2-yl]sulfonyl-2-(2,4-difluorophenyl)-1-phenyl-1-(1,2,4-triazol-1-yl)piperazin-1-ium
IUPAC NAME: 4-[(E)-but-2-en-2-yl]sulfonyl-2-(2,4-difluorophenyl)-1-phenyl-1-(1,2,4-triazol-1-yl)piperazin-1-ium
SYSTEMATIC NAME: 2-[2,4-bis(fluoranyl)phenyl]-4-[(E)-but-2-en-2-yl]sulfonyl-1-phenyl-1-(1,2,4-triazol-1-yl)piperazin-1-ium
MOLECULAR FORMULA: C22H24F2N5O2S+
MOLECULAR WEIGHT: 460.520066
SMILES: C/C=C(\C)/S(=O)(=O)N1CC[N+](C(C1)C2=C(C=C(C=C2)F)F)(C3=CC=CC=C3)N4C=NC=N4
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Product OPENEYE NAME: 2-butylsulfonyl-3-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)morpholin-3-ol
CAS Name: 2-butylsulfonyl-3-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)-3-morpholinol
IUPAC NAME: 2-butylsulfonyl-3-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)morpholin-3-ol
SYSTEMATIC NAME: 3-[2,4-bis(fluoranyl)phenyl]-2-butylsulfonyl-4-(1,2,4-triazol-1-yl)morpholin-3-ol
MOLECULAR FORMULA: C16H20F2N4O4S
MOLECULAR WEIGHT: 402.416206
SMILES: CCCCS(=O)(=O)C1C(N(CCO1)N2C=NC=N2)(C3=C(C=C(C=C3)F)F)O
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Product OPENEYE NAME: (4-methyl-1,2,4-triazol-3-yl)methanamine
CAS Name: (4-methyl-1,2,4-triazol-3-yl)methanamine
IUPAC NAME: (4-methyl-1,2,4-triazol-3-yl)methanamine
SYSTEMATIC NAME: (4-methyl-1,2,4-triazol-3-yl)methanamine
MOLECULAR FORMULA: C4H8N4
MOLECULAR WEIGHT: 112.13312
SMILES: CN1C=NN=C1CN
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Product OPENEYE NAME: 3-butylsulfonyl-1-(2-chloro-5-fluoro-pyrimidin-4-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)piperazin-1-ium-2-ol
CAS Name: 3-butylsulfonyl-1-(2-chloro-5-fluoro-4-pyrimidinyl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-2-piperazin-1-iumol
IUPAC NAME: 3-butylsulfonyl-1-(2-chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)piperazin-1-ium-2-ol
SYSTEMATIC NAME: 2-[2,4-bis(fluoranyl)phenyl]-3-butylsulfonyl-1-(2-chloranyl-5-fluoranyl-pyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)piperazin-1-ium-2-ol
MOLECULAR FORMULA: C20H22ClF3N7O3S+
MOLECULAR WEIGHT: 532.94699
SMILES: CCCCS(=O)(=O)C1C([N+](CCN1)(C2=NC(=NC=C2F)Cl)N3C=NC=N3)(C4=C(C=C(C=C4)F)F)O
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Product OPENEYE NAME: 2-butylsulfonyl-3-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)pyrrolidin-3-ol
CAS Name: 2-butylsulfonyl-3-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)-3-pyrrolidinol
IUPAC NAME: 2-butylsulfonyl-3-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)pyrrolidin-3-ol
SYSTEMATIC NAME: 3-[2,4-bis(fluoranyl)phenyl]-2-butylsulfonyl-4-(1,2,4-triazol-1-yl)pyrrolidin-3-ol
MOLECULAR FORMULA: C16H20F2N4O3S
MOLECULAR WEIGHT: 386.416806
SMILES: CCCCS(=O)(=O)C1C(C(CN1)N2C=NC=N2)(C3=C(C=C(C=C3)F)F)O
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Product OPENEYE NAME: 3-butylsulfanyl-2-(2,4-difluorophenyl)-1-phenyl-1-(1,2,4-triazol-1-yl)piperazin-1-ium-2-ol
CAS Name: 3-(butylthio)-2-(2,4-difluorophenyl)-1-phenyl-1-(1,2,4-triazol-1-yl)-2-piperazin-1-iumol
IUPAC NAME: 3-butylsulfanyl-2-(2,4-difluorophenyl)-1-phenyl-1-(1,2,4-triazol-1-yl)piperazin-1-ium-2-ol
SYSTEMATIC NAME: 2-[2,4-bis(fluoranyl)phenyl]-3-butylsulfanyl-1-phenyl-1-(1,2,4-triazol-1-yl)piperazin-1-ium-2-ol
MOLECULAR FORMULA: C22H26F2N5OS+
MOLECULAR WEIGHT: 446.536546
SMILES: CCCCSC1C([N+](CCN1)(C2=CC=CC=C2)N3C=NC=N3)(C4=C(C=C(C=C4)F)F)O
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Product OPENEYE NAME: 2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol; N-methylmethanesulfonamide
CAS Name: 2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-2-butanol; N-methylmethanesulfonamide
IUPAC NAME: 2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol; N-methylmethanesulfonamide
SYSTEMATIC NAME: 2-[2,4-bis(fluoranyl)phenyl]-1-(1,2,4-triazol-1-yl)butan-2-ol; N-methylmethanesulfonamide
MOLECULAR FORMULA: C14H20F2N4O3S
MOLECULAR WEIGHT: 362.395406
SMILES: CCC(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O.CNS(=O)(=O)C
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Product OPENEYE NAME: 2-(2,4-difluorophenyl)-3-(2-sulfonylpiperazin-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CAS Name: 2-(2,4-difluorophenyl)-3-(2-sulfonyl-1-piperazinyl)-1-(1,2,4-triazol-1-yl)-2-butanol
IUPAC NAME: 2-(2,4-difluorophenyl)-3-(2-sulfonylpiperazin-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
SYSTEMATIC NAME: 2-[2,4-bis(fluoranyl)phenyl]-3-(2-sulfonylpiperazin-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
MOLECULAR FORMULA: C16H19F2N5O3S
MOLECULAR WEIGHT: 399.415566
SMILES: CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3CCNCC3=S(=O)=O
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Product OPENEYE NAME: 3-butylsulfonyl-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-4-[4-(trifluoromethyl)phenyl]piperazin-2-ol
CAS Name: 3-butylsulfonyl-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-4-[4-(trifluoromethyl)phenyl]-2-piperazinol
IUPAC NAME: 3-butylsulfonyl-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-4-[4-(trifluoromethyl)phenyl]piperazin-2-ol
SYSTEMATIC NAME: 2-[2,4-bis(fluoranyl)phenyl]-3-butylsulfonyl-1-(1,2,4-triazol-1-yl)-4-[4-(trifluoromethyl)phenyl]piperazin-2-ol
MOLECULAR FORMULA: C23H24F5N5O3S
MOLECULAR WEIGHT: 545.525376
SMILES: CCCCS(=O)(=O)C1C(N(CCN1C2=CC=C(C=C2)C(F)(F)F)N3C=NC=N3)(C4=C(C=C(C=C4)F)F)O
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Product OPENEYE NAME: 3-butyl-4-phenyl-3-(1,2,4-triazol-4-yl)piperazin-2-one dihydrochloride
CAS Name: 3-butyl-4-phenyl-3-(1,2,4-triazol-4-yl)-2-piperazinone dihydrochloride
IUPAC NAME: 3-butyl-4-phenyl-3-(1,2,4-triazol-4-yl)piperazin-2-one dihydrochloride
SYSTEMATIC NAME: 3-butyl-4-phenyl-3-(1,2,4-triazol-4-yl)piperazin-2-one dihydrochloride
MOLECULAR FORMULA: C16H23Cl2N5O
MOLECULAR WEIGHT: 372.29272
SMILES: CCCCC1(C(=O)NCCN1C2=CC=CC=C2)N3C=NN=C3.Cl.Cl
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Product OPENEYE NAME: 3-butyl-4-phenyl-3-(1,2,4-triazol-4-yl)piperazin-2-one
CAS Name: 3-butyl-4-phenyl-3-(1,2,4-triazol-4-yl)-2-piperazinone
IUPAC NAME: 3-butyl-4-phenyl-3-(1,2,4-triazol-4-yl)piperazin-2-one
SYSTEMATIC NAME: 3-butyl-4-phenyl-3-(1,2,4-triazol-4-yl)piperazin-2-one
MOLECULAR FORMULA: C16H21N5O
MOLECULAR WEIGHT: 299.37084
SMILES: CCCCC1(C(=O)NCCN1C2=CC=CC=C2)N3C=NN=C3
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Product OPENEYE NAME: 3-butylsulfonyl-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-4-[4-(2,2,2-trifluoroethoxy)phenyl]piperazin-2-ol
CAS Name: 3-butylsulfonyl-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-4-[4-(2,2,2-trifluoroethoxy)phenyl]-2-piperazinol
IUPAC NAME: 3-butylsulfonyl-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-4-[4-(2,2,2-trifluoroethoxy)phenyl]piperazin-2-ol
SYSTEMATIC NAME: 2-[2,4-bis(fluoranyl)phenyl]-3-butylsulfonyl-1-(1,2,4-triazol-1-yl)-4-[4-[2,2,2-tris(fluoranyl)ethoxy]phenyl]piperazin-2-ol
MOLECULAR FORMULA: C24H26F5N5O4S
MOLECULAR WEIGHT: 575.551356
SMILES: CCCCS(=O)(=O)C1C(N(CCN1C2=CC=C(C=C2)OCC(F)(F)F)N3C=NC=N3)(C4=C(C=C(C=C4)F)F)O
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Product OPENEYE NAME: 3-butylsulfonyl-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)piperazin-2-ol
CAS Name: 3-butylsulfonyl-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-2-piperazinol
IUPAC NAME: 3-butylsulfonyl-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)piperazin-2-ol
SYSTEMATIC NAME: 2-[2,4-bis(fluoranyl)phenyl]-3-butylsulfonyl-1-(1,2,4-triazol-1-yl)piperazin-2-ol
MOLECULAR FORMULA: C16H21F2N5O3S
MOLECULAR WEIGHT: 401.431446
SMILES: CCCCS(=O)(=O)C1C(N(CCN1)N2C=NC=N2)(C3=C(C=C(C=C3)F)F)O
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Product OPENEYE NAME: 3-(2,4-difluorophenyl)-3-hydroxy-4-imidazol-1-yl-butane-2-sulfonamide
CAS Name: 3-(2,4-difluorophenyl)-3-hydroxy-4-(1-imidazolyl)-2-butanesulfonamide
IUPAC NAME: 3-(2,4-difluorophenyl)-3-hydroxy-4-imidazol-1-ylbutane-2-sulfonamide
SYSTEMATIC NAME: 3-[2,4-bis(fluoranyl)phenyl]-4-imidazol-1-yl-3-oxidanyl-butane-2-sulfonamide
MOLECULAR FORMULA: C13H15F2N3O3S
MOLECULAR WEIGHT: 331.338306
SMILES: CC(C(CN1C=CN=C1)(C2=C(C=C(C=C2)F)F)O)S(=O)(=O)N
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