Product OPENEYE NAME: 2-piperazin-4-ium-1-yl-1,3-benzothiazole
CAS Name: 2-(1-piperazin-4-iumyl)-1,3-benzothiazole
IUPAC NAME: 2-piperazin-4-ium-1-yl-1,3-benzothiazole
SYSTEMATIC NAME: 2-piperazin-4-ium-1-yl-1,3-benzothiazole
MOLECULAR FORMULA: C11H14N3S+
MOLECULAR WEIGHT: 220.31396
SMILES: C1CN(CC[NH2+]1)C2=NC3=CC=CC=C3S2
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Product OPENEYE NAME: 6-nitro-2-piperazin-4-ium-1-yl-1,3-benzothiazole
CAS Name: 6-nitro-2-(1-piperazin-4-iumyl)-1,3-benzothiazole
IUPAC NAME: 6-nitro-2-piperazin-4-ium-1-yl-1,3-benzothiazole
SYSTEMATIC NAME: 6-nitro-2-piperazin-4-ium-1-yl-1,3-benzothiazole
MOLECULAR FORMULA: C11H13N4O2S+
MOLECULAR WEIGHT: 265.31152
SMILES: C1CN(CC[NH2+]1)C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: [4-(4-propylcyclohexyl)phenyl] thiophene-2-carboxylate
CAS Name: 2-thiophenecarboxylic acid [4-(4-propylcyclohexyl)phenyl] ester
IUPAC NAME: [4-(4-propylcyclohexyl)phenyl] thiophene-2-carboxylate
SYSTEMATIC NAME: [4-(4-propylcyclohexyl)phenyl] thiophene-2-carboxylate
MOLECULAR FORMULA: C20H24O2S
MOLECULAR WEIGHT: 328.46836
SMILES: CCCC1CCC(CC1)C2=CC=C(C=C2)OC(=O)C3=CC=CS3
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Product OPENEYE NAME: N-(2,4-dimethylphenyl)-4-(5-propyl-2-pyridyl)benzamide
CAS Name: N-(2,4-dimethylphenyl)-4-(5-propyl-2-pyridinyl)benzamide
IUPAC NAME: N-(2,4-dimethylphenyl)-4-(5-propylpyridin-2-yl)benzamide
SYSTEMATIC NAME: N-(2,4-dimethylphenyl)-4-(5-propylpyridin-2-yl)benzamide
MOLECULAR FORMULA: C23H24N2O
MOLECULAR WEIGHT: 344.44946
SMILES: CCCC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)C)C
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Product OPENEYE NAME: 4-(5-propyl-2-pyridyl)-N-(p-tolyl)benzamide
CAS Name: N-(4-methylphenyl)-4-(5-propyl-2-pyridinyl)benzamide
IUPAC NAME: N-(4-methylphenyl)-4-(5-propylpyridin-2-yl)benzamide
SYSTEMATIC NAME: N-(4-methylphenyl)-4-(5-propylpyridin-2-yl)benzamide
MOLECULAR FORMULA: C22H22N2O
MOLECULAR WEIGHT: 330.42288
SMILES: CCCC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C
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Product OPENEYE NAME: phenyl 5-bromopyridine-3-carboxylate
CAS Name: 5-bromo-3-pyridinecarboxylic acid phenyl ester
IUPAC NAME: phenyl 5-bromopyridine-3-carboxylate
SYSTEMATIC NAME: phenyl 5-bromanylpyridine-3-carboxylate
MOLECULAR FORMULA: C12H8BrNO2
MOLECULAR WEIGHT: 278.10142
SMILES: C1=CC=C(C=C1)OC(=O)C2=CC(=CN=C2)Br
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Product OPENEYE NAME: 4-(5-propyl-2-pyridyl)benzoate
CAS Name: 4-(5-propyl-2-pyridinyl)benzoate
IUPAC NAME: 4-(5-propylpyridin-2-yl)benzoate
SYSTEMATIC NAME: 4-(5-propylpyridin-2-yl)benzoate
MOLECULAR FORMULA: C15H14NO2-
MOLECULAR WEIGHT: 240.27716
SMILES: CCCC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)[O-]
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Product OPENEYE NAME: cyclohexyl 4-(5-ethyl-2-pyridyl)benzoate
CAS Name: 4-(5-ethyl-2-pyridinyl)benzoic acid cyclohexyl ester
IUPAC NAME: cyclohexyl 4-(5-ethylpyridin-2-yl)benzoate
SYSTEMATIC NAME: cyclohexyl 4-(5-ethylpyridin-2-yl)benzoate
MOLECULAR FORMULA: C20H23NO2
MOLECULAR WEIGHT: 309.40212
SMILES: CCC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CCCCC3
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Product OPENEYE NAME: (4-ethoxyphenyl) 4-(5-ethyl-2-pyridyl)benzoate
CAS Name: 4-(5-ethyl-2-pyridinyl)benzoic acid (4-ethoxyphenyl) ester
IUPAC NAME: (4-ethoxyphenyl) 4-(5-ethylpyridin-2-yl)benzoate
SYSTEMATIC NAME: (4-ethoxyphenyl) 4-(5-ethylpyridin-2-yl)benzoate
MOLECULAR FORMULA: C22H21NO3
MOLECULAR WEIGHT: 347.40704
SMILES: CCC1=CN=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OCC
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Product OPENEYE NAME: 6-chloro-3-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one
CAS Name: 6-chloro-3-(6-methoxy-2-imidazo[2,1-b][1,3]benzothiazolyl)-1-benzopyran-2-one
IUPAC NAME: 6-chloro-3-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one
SYSTEMATIC NAME: 6-chloranyl-3-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one
MOLECULAR FORMULA: C19H11ClN2O3S
MOLECULAR WEIGHT: 382.82024
SMILES: COC1=CC2=C(C=C1)N3C=C(N=C3S2)C4=CC5=C(C=CC(=C5)Cl)OC4=O
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Product OPENEYE NAME: [2-[6-amino-5-cyano-3-(4-isobutylphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-4-chloro-phenyl] morpholine-4-carboxylate
CAS Name: 4-morpholinecarboxylic acid [2-[6-amino-5-cyano-3-[4-(2-methylpropyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-4-chlorophenyl] ester
IUPAC NAME: [2-[6-amino-5-cyano-3-[4-(2-methylpropyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-4-chlorophenyl] morpholine-4-carboxylate
SYSTEMATIC NAME: [2-[6-azanyl-5-cyano-3-[4-(2-methylpropyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-4-chloranyl-phenyl] morpholine-4-carboxylate
MOLECULAR FORMULA: C28H28ClN5O4
MOLECULAR WEIGHT: 534.00602
SMILES: CC(C)CC1=CC=C(C=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=C(C=CC(=C4)Cl)OC(=O)N5CCOCC5
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Product OPENEYE NAME: 3-(benzenesulfonyl)-4-(2-fluorophenyl)-2-methyl-indeno[1,2-b]pyridin-5-one
CAS Name: 3-(benzenesulfonyl)-4-(2-fluorophenyl)-2-methyl-5-indeno[1,2-b]pyridinone
IUPAC NAME: 3-(benzenesulfonyl)-4-(2-fluorophenyl)-2-methylindeno[1,2-b]pyridin-5-one
SYSTEMATIC NAME: 4-(2-fluorophenyl)-2-methyl-3-(phenylsulfonyl)indeno[1,2-b]pyridin-5-one
MOLECULAR FORMULA: C25H16FNO3S
MOLECULAR WEIGHT: 429.462843
SMILES: CC1=C(C(=C2C(=N1)C3=CC=CC=C3C2=O)C4=CC=CC=C4F)S(=O)(=O)C5=CC=CC=C5
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Product OPENEYE NAME: 4-[(4-allyloxy-2-bromo-5-ethoxy-phenyl)methylene]-5-methyl-2-(p-tolyl)pyrazol-3-one
CAS Name: 4-[(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]-5-methyl-2-(4-methylphenyl)-3-pyrazolone
IUPAC NAME: 4-[(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]-5-methyl-2-(4-methylphenyl)pyrazol-3-one
SYSTEMATIC NAME: 4-[(2-bromanyl-5-ethoxy-4-prop-2-enoxy-phenyl)methylidene]-5-methyl-2-(4-methylphenyl)pyrazol-3-one
MOLECULAR FORMULA: C23H23BrN2O3
MOLECULAR WEIGHT: 455.34432
SMILES: CCOC1=C(C=C(C(=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)C)C)Br)OCC=C
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Product OPENEYE NAME: 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl 4-[(3,4-dichlorobenzoyl)amino]benzoate
CAS Name: 4-[[(3,4-dichlorophenyl)-oxomethyl]amino]benzoic acid 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl ester
IUPAC NAME: 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl 4-[(3,4-dichlorobenzoyl)amino]benzoate
SYSTEMATIC NAME: 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl 4-[(3,4-dichlorophenyl)carbonylamino]benzoate
MOLECULAR FORMULA: C24H26Cl2N2O3
MOLECULAR WEIGHT: 461.38084
SMILES: C1CCN2CCCC(C2C1)COC(=O)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)Cl)Cl
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Product OPENEYE NAME: 4-[2-(4-chlorophenyl)chromen-4-ylidene]-2,6-dimethyl-morpholin-4-ium
CAS Name: 4-[2-(4-chlorophenyl)-1-benzopyran-4-ylidene]-2,6-dimethylmorpholin-4-ium
IUPAC NAME: 4-[2-(4-chlorophenyl)chromen-4-ylidene]-2,6-dimethylmorpholin-4-ium
SYSTEMATIC NAME: 4-[2-(4-chlorophenyl)chromen-4-ylidene]-2,6-dimethyl-morpholin-4-ium
MOLECULAR FORMULA: C21H21ClNO2+
MOLECULAR WEIGHT: 354.84994
SMILES: CC1C[N+](=C2C=C(OC3=CC=CC=C32)C4=CC=C(C=C4)Cl)CC(O1)C
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Product OPENEYE NAME: 7-[2-(4-chlorophenyl)chromen-4-ylidene]-3,3,5-trimethyl-7-azoniabicyclo[3.2.1]octane
CAS Name: 7-[2-(4-chlorophenyl)-1-benzopyran-4-ylidene]-3,3,5-trimethyl-7-azoniabicyclo[3.2.1]octane
IUPAC NAME: 7-[2-(4-chlorophenyl)chromen-4-ylidene]-3,3,5-trimethyl-7-azoniabicyclo[3.2.1]octane
SYSTEMATIC NAME: 7-[2-(4-chlorophenyl)chromen-4-ylidene]-3,3,5-trimethyl-7-azoniabicyclo[3.2.1]octane
MOLECULAR FORMULA: C25H27ClNO+
MOLECULAR WEIGHT: 392.94098
SMILES: CC1(CC2CC(C1)(C[N+]2=C3C=C(OC4=CC=CC=C43)C5=CC=C(C=C5)Cl)C)C
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Product OPENEYE NAME: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide
CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide
IUPAC NAME: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide
SYSTEMATIC NAME: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-chloranyl-4-(trifluoromethyl)phenyl]ethanamide
MOLECULAR FORMULA: C16H10ClF3N2OS2
MOLECULAR WEIGHT: 402.84161
SMILES: C1=CC=C2C(=C1)N=C(S2)SCC(=O)NC3=C(C=C(C=C3)C(F)(F)F)Cl
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Product OPENEYE NAME: N-(4-nitrophenyl)-2-(2-thienylmethylsulfanyl)acetamide
CAS Name: N-(4-nitrophenyl)-2-(thiophen-2-ylmethylthio)acetamide
IUPAC NAME: N-(4-nitrophenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
SYSTEMATIC NAME: N-(4-nitrophenyl)-2-(thiophen-2-ylmethylsulfanyl)ethanamide
MOLECULAR FORMULA: C13H12N2O3S2
MOLECULAR WEIGHT: 308.37598
SMILES: C1=CSC(=C1)CSCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: 2-[[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]amino]benzamide
CAS Name: 2-[[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]benzamide
IUPAC NAME: 2-[[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]benzamide
SYSTEMATIC NAME: 2-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoylamino]benzamide
MOLECULAR FORMULA: C20H18N4O2S
MOLECULAR WEIGHT: 378.44752
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC3=CC=CC=C3C(=O)N
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Product OPENEYE NAME: ethyl 2-[[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]acetate
CAS Name: 2-[[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]thio]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]acetate
SYSTEMATIC NAME: ethyl 2-[[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]ethanoate
MOLECULAR FORMULA: C18H17F3N4O4S
MOLECULAR WEIGHT: 442.41219
SMILES: CCOC(=O)CSC1=NN2C(=CC(=NC2=N1)C3=CC(=C(C=C3)OC)OC)C(F)(F)F
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CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H20BrClN2O4
MOLECULAR WEIGHT: 539.805
SMILES: CC1=C2C(=CC(=C1Cl)Br)C(=CC(=N2)C3=CC=C(C=C3)N4C(=O)C5C6CCC(C6)C5C4=O)C(=O)O
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MOLECULAR FORMULA: C35H27BrCl2N2O5
MOLECULAR WEIGHT: 706.40928
SMILES: C1CC2CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)C5=NC6=C(C=C(C=C6)Br)C(=C5)C(=O)OC(CCCl)C(=O)C7=CC=C(C=C7)Cl
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MOLECULAR FORMULA: C36H29BrN2O5
MOLECULAR WEIGHT: 649.52986
SMILES: CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=NC3=C(C=C(C=C23)Br)C)C4=CC=C(C=C4)N5C(=O)C6C7CC(C6C5=O)C=C7
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Product OPENEYE NAME: [2-(4-methoxyphenyl)-2-oxo-ethyl] 8-chloro-2-[4-(5,6-dibromo-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate
CAS Name: 8-chloro-2-[4-(5,6-dibromo-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-4-quinolinecarboxylic acid [2-(4-methoxyphenyl)-2-oxoethyl] ester
IUPAC NAME: [2-(4-methoxyphenyl)-2-oxoethyl] 8-chloro-2-[4-(5,6-dibromo-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate
SYSTEMATIC NAME: [2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] 2-[4-[5,6-bis(bromanyl)-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]-8-chloranyl-quinoline-4-carboxylate
MOLECULAR FORMULA: C33H25Br2ClN2O6
MOLECULAR WEIGHT: 740.8224
SMILES: COC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=CC=C3Cl)C4=CC=C(C=C4)N5C(=O)C6CC(C(CC6C5=O)Br)Br
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