Product OPENEYE NAME: (E)-N-butyl-3-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)but-2-ene-2-sulfonamide
CAS Name: (E)-N-butyl-3-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)-2-butene-2-sulfonamide
IUPAC NAME: (E)-N-butyl-3-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)but-2-ene-2-sulfonamide
SYSTEMATIC NAME: (E)-3-[2,4-bis(fluoranyl)phenyl]-N-butyl-4-(1,2,4-triazol-1-yl)but-2-ene-2-sulfonamide
MOLECULAR FORMULA: C16H20F2N4O2S
MOLECULAR WEIGHT: 370.417406
SMILES: CCCCNS(=O)(=O)/C(=C(/CN1C=NC=N1)\C2=C(C=C(C=C2)F)F)/C
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Product OPENEYE NAME: 4-phenyl-3-(1,2,4-triazol-4-yl)-3-(2,2,2-trifluoroethyl)piperazin-2-one
CAS Name: 4-phenyl-3-(1,2,4-triazol-4-yl)-3-(2,2,2-trifluoroethyl)-2-piperazinone
IUPAC NAME: 4-phenyl-3-(1,2,4-triazol-4-yl)-3-(2,2,2-trifluoroethyl)piperazin-2-one
SYSTEMATIC NAME: 4-phenyl-3-(1,2,4-triazol-4-yl)-3-[2,2,2-tris(fluoranyl)ethyl]piperazin-2-one
MOLECULAR FORMULA: C14H14F3N5O
MOLECULAR WEIGHT: 325.28907
SMILES: C1CN(C(C(=O)N1)(CC(F)(F)F)N2C=NN=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 4-cyclohexa-1,5-dien-1-yl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-one
CAS Name: 4-(1-cyclohexa-1,5-dienyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-one
IUPAC NAME: 4-cyclohexa-1,5-dien-1-yl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-one
SYSTEMATIC NAME: 4-cyclohexa-1,5-dien-1-yl-2-[2,2,2-tris(fluoranyl)ethyl]-1,2,4-triazol-3-one
MOLECULAR FORMULA: C10H10F3N3O
MOLECULAR WEIGHT: 245.20111
SMILES: C1CC=C(C=C1)N2C=NN(C2=O)CC(F)(F)F
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Product OPENEYE NAME: 3-butylsulfanyl-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)piperazin-2-ol
CAS Name: 3-(butylthio)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-2-piperazinol
IUPAC NAME: 3-butylsulfanyl-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)piperazin-2-ol
SYSTEMATIC NAME: 2-[2,4-bis(fluoranyl)phenyl]-3-butylsulfanyl-1-(1,2,4-triazol-1-yl)piperazin-2-ol
MOLECULAR FORMULA: C16H21F2N5OS
MOLECULAR WEIGHT: 369.432646
SMILES: CCCCSC1C(N(CCN1)N2C=NC=N2)(C3=C(C=C(C=C3)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 dihydrochloride
CAS Name: 3-butylsulfonyl-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-2-piperazinol dihydrochloride
IUPAC NAME: 3-butylsulfonyl-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)piperazin-2-ol dihydrochloride
SYSTEMATIC NAME: 2-[2,4-bis(fluoranyl)phenyl]-3-butylsulfonyl-1-(1,2,4-triazol-1-yl)piperazin-2-ol dihydrochloride
MOLECULAR FORMULA: C16H23Cl2F2N5O3S
MOLECULAR WEIGHT: 474.353326
SMILES: CCCCS(=O)(=O)C1C(N(CCN1)N2C=NC=N2)(C3=C(C=C(C=C3)F)F)O.Cl.Cl
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Product OPENEYE NAME: 1-butyltriazole; N-methylmethanesulfonamide
CAS Name: 1-butyltriazole; N-methylmethanesulfonamide
IUPAC NAME: 1-butyltriazole; N-methylmethanesulfonamide
SYSTEMATIC NAME: 1-butyl-1,2,3-triazole; N-methylmethanesulfonamide
MOLECULAR FORMULA: C8H18N4O2S
MOLECULAR WEIGHT: 234.31912
SMILES: CCCCN1C=CN=N1.CNS(=O)(=O)C
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Product OPENEYE NAME: 4-cyclohexa-1,5-dien-1-yl-2-sec-butyl-1,2,4-triazol-3-one
CAS Name: 2-butan-2-yl-4-(1-cyclohexa-1,5-dienyl)-1,2,4-triazol-3-one
IUPAC NAME: 2-butan-2-yl-4-cyclohexa-1,5-dien-1-yl-1,2,4-triazol-3-one
SYSTEMATIC NAME: 2-butan-2-yl-4-cyclohexa-1,5-dien-1-yl-1,2,4-triazol-3-one
MOLECULAR FORMULA: C12H17N3O
MOLECULAR WEIGHT: 219.28288
SMILES: CCC(C)N1C(=O)N(C=N1)C2=CCCC=C2
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Product OPENEYE NAME: 3-butylsulfonyl-2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-1-(1,2,4-triazol-1-yl)piperazin-2-ol
CAS Name: 3-butylsulfonyl-2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-1-(1,2,4-triazol-1-yl)-2-piperazinol
IUPAC NAME: 3-butylsulfonyl-2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-1-(1,2,4-triazol-1-yl)piperazin-2-ol
SYSTEMATIC NAME: 2-[2,4-bis(fluoranyl)phenyl]-3-butylsulfonyl-4-(4-fluorophenyl)-1-(1,2,4-triazol-1-yl)piperazin-2-ol
MOLECULAR FORMULA: C22H24F3N5O3S
MOLECULAR WEIGHT: 495.51787
SMILES: CCCCS(=O)(=O)C1C(N(CCN1C2=CC=C(C=C2)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)-2-hydroxy-1-(1,2,4-triazol-1-yl)piperazin-1-ium-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CAS Name: [3-butylsulfonyl-2-(2,4-difluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)-1-piperazin-1-iumyl]-[4-(trifluoromethyl)phenyl]methanone
IUPAC NAME: [3-butylsulfonyl-2-(2,4-difluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)piperazin-1-ium-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SYSTEMATIC NAME: [2-[2,4-bis(fluoranyl)phenyl]-3-butylsulfonyl-2-oxidanyl-1-(1,2,4-triazol-1-yl)piperazin-1-ium-1-yl]-[4-(trifluoromethyl)phenyl]methanone
MOLECULAR FORMULA: C24H25F5N5O4S+
MOLECULAR WEIGHT: 574.543416
SMILES: CCCCS(=O)(=O)C1C([N+](CCN1)(C(=O)C2=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-butylsulfonyl-2-(2,4-difluorophenyl)-4-(4-methoxyphenyl)-1-(1,2,4-triazol-1-yl)piperazin-2-ol
CAS Name: 3-butylsulfonyl-2-(2,4-difluorophenyl)-4-(4-methoxyphenyl)-1-(1,2,4-triazol-1-yl)-2-piperazinol
IUPAC NAME: 3-butylsulfonyl-2-(2,4-difluorophenyl)-4-(4-methoxyphenyl)-1-(1,2,4-triazol-1-yl)piperazin-2-ol
SYSTEMATIC NAME: 2-[2,4-bis(fluoranyl)phenyl]-3-butylsulfonyl-4-(4-methoxyphenyl)-1-(1,2,4-triazol-1-yl)piperazin-2-ol
MOLECULAR FORMULA: C23H27F2N5O4S
MOLECULAR WEIGHT: 507.553386
SMILES: CCCCS(=O)(=O)C1C(N(CCN1C2=CC=C(C=C2)OC)N3C=NC=N3)(C4=C(C=C(C=C4)F)F)O
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Product OPENEYE NAME: (Z)-4-(1,2,4-triazol-1-yl)but-2-ene-2-sulfonamide
CAS Name: (Z)-4-(1,2,4-triazol-1-yl)-2-butene-2-sulfonamide
IUPAC NAME: (Z)-4-(1,2,4-triazol-1-yl)but-2-ene-2-sulfonamide
SYSTEMATIC NAME: (Z)-4-(1,2,4-triazol-1-yl)but-2-ene-2-sulfonamide
MOLECULAR FORMULA: C6H10N4O2S
MOLECULAR WEIGHT: 202.2342
SMILES: C/C(=C/CN1C=NC=N1)/S(=O)(=O)N
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Product OPENEYE NAME: 2-butylsulfanyl-3-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)pyrrolidin-3-ol
CAS Name: 2-(butylthio)-3-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)-3-pyrrolidinol
IUPAC NAME: 2-butylsulfanyl-3-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)pyrrolidin-3-ol
SYSTEMATIC NAME: 3-[2,4-bis(fluoranyl)phenyl]-2-butylsulfanyl-4-(1,2,4-triazol-1-yl)pyrrolidin-3-ol
MOLECULAR FORMULA: C16H20F2N4OS
MOLECULAR WEIGHT: 354.418006
SMILES: CCCCSC1C(C(CN1)N2C=NC=N2)(C3=C(C=C(C=C3)F)F)O
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Product OPENEYE NAME: 1-butyltriazole; methanesulfonamide
CAS Name: 1-butyltriazole; methanesulfonamide
IUPAC NAME: 1-butyltriazole; methanesulfonamide
SYSTEMATIC NAME: 1-butyl-1,2,3-triazole; methanesulfonamide
MOLECULAR FORMULA: C7H16N4O2S
MOLECULAR WEIGHT: 220.29254
SMILES: CCCCN1C=CN=N1.CS(=O)(=O)N
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Product OPENEYE NAME: 2-butylsulfanyl-3-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)morpholin-3-ol
CAS Name: 2-(butylthio)-3-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)-3-morpholinol
IUPAC NAME: 2-butylsulfanyl-3-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)morpholin-3-ol
SYSTEMATIC NAME: 3-[2,4-bis(fluoranyl)phenyl]-2-butylsulfanyl-4-(1,2,4-triazol-1-yl)morpholin-3-ol
MOLECULAR FORMULA: C16H20F2N4O2S
MOLECULAR WEIGHT: 370.417406
SMILES: CCCCSC1C(N(CCO1)N2C=NC=N2)(C3=C(C=C(C=C3)F)F)O
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Product OPENEYE NAME: butan-2-one; 2-methoxyethanol
CAS Name: 2-butanone; 2-methoxyethanol
IUPAC NAME: butan-2-one; 2-methoxyethanol
SYSTEMATIC NAME: butan-2-one; 2-methoxyethanol
MOLECULAR FORMULA: C11H24O4
MOLECULAR WEIGHT: 220.30586
SMILES: CCC(=O)C.CCC(=O)C.COCCO
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Product OPENEYE NAME: vinyl 1,2-dihydropyridine-6-carboxylate
CAS Name: 1,2-dihydropyridine-6-carboxylic acid ethenyl ester
IUPAC NAME: ethenyl 1,2-dihydropyridine-6-carboxylate
SYSTEMATIC NAME: ethenyl 1,2-dihydropyridine-6-carboxylate
MOLECULAR FORMULA: C8H9NO2
MOLECULAR WEIGHT: 151.16256
SMILES: C=COC(=O)C1=CC=CCN1
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Product OPENEYE NAME: N-[4-[4-(bromomethyl)phenyl]-5-pentyl-2-thienyl]-2-methyl-propane-2-sulfonamide
CAS Name: N-[4-[4-(bromomethyl)phenyl]-5-pentyl-2-thiophenyl]-2-methyl-2-propanesulfonamide
IUPAC NAME: N-[4-[4-(bromomethyl)phenyl]-5-pentylthiophen-2-yl]-2-methylpropane-2-sulfonamide
SYSTEMATIC NAME: N-[4-[4-(bromomethyl)phenyl]-5-pentyl-thiophen-2-yl]-2-methyl-propane-2-sulfonamide
MOLECULAR FORMULA: C20H28BrNO2S2
MOLECULAR WEIGHT: 458.47582
SMILES: CCCCCC1=C(C=C(S1)NS(=O)(=O)C(C)(C)C)C2=CC=C(C=C2)CBr
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