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MOLECULAR FORMULA: C21H24N2O3
MOLECULAR WEIGHT: 352.42686
SMILES: CC(C)C[C@H](C(=O)NC1=CC=CC=C1)N2C(=O)[C@@H]3[C@H]4C[C@H]([C@@H]3C2=O)C=C4
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MOLECULAR FORMULA: C18H16BrClN2O3
MOLECULAR WEIGHT: 423.68824
SMILES: C[C@@H](C(=O)NC1=C(C=C(C=C1)Br)Cl)N2C(=O)[C@@H]3[C@@H]4C[C@@H]([C@@H]3C2=O)C=C4
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MOLECULAR FORMULA: C16H12N2O4
MOLECULAR WEIGHT: 296.27748
SMILES: C1=CC=C(C(=C1)C#N)N2C(=O)[C@@H]3[C@@H]4C=C[C@@]([C@@H]3C2=O)(O4)CO
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MOLECULAR FORMULA: C17H21NO
MOLECULAR WEIGHT: 255.35474
SMILES: C1C[C@@H]2C[C@@H]1[C@@H]3[C@H]2C3C(=O)NCCC4=CC=CC=C4
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Product OPENEYE NAME: (1S,4S,5S,6R)-6-bromo-1-hydroxy-3-oxo-5-phenyl-2-azabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
CAS Name: (1S,4S,5S,6R)-6-bromo-1-hydroxy-3-oxo-5-phenyl-2-azabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
IUPAC NAME: (1S,4S,5S,6R)-6-bromo-1-hydroxy-3-oxo-5-phenyl-2-azabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
SYSTEMATIC NAME: (1S,4S,5S,6R)-6-bromanyl-1-oxidanyl-3-oxidanylidene-5-phenyl-2-azabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
MOLECULAR FORMULA: C16H11BrN4O2
MOLECULAR WEIGHT: 371.18814
SMILES: C1[C@@]2([C@@H]([C@H]([C@@](C1(C#N)C#N)(C(=O)N2)C#N)C3=CC=CC=C3)Br)O
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MOLECULAR FORMULA: C20H18N2O5
MOLECULAR WEIGHT: 366.36732
SMILES: CC[C@@H](C)OC(=O)C1=C(O[C@@]23[C@]1(C(=C(O2)N)C#N)C(=O)C4=CC=CC=C34)C
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Product OPENEYE NAME: 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R,2S,4R)-norbornan-2-yl]acetamide
CAS Name: N-[(1R,3S,4R)-3-bicyclo[2.2.1]heptanyl]-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]thio]acetamide
IUPAC NAME: N-[(1R,3S,4R)-3-bicyclo[2.2.1]heptanyl]-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SYSTEMATIC NAME: N-[(1R,3S,4R)-3-bicyclo[2.2.1]heptanyl]-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C17H18ClN3O2S
MOLECULAR WEIGHT: 363.86172
SMILES: C1C[C@@H]2C[C@@H]1C[C@@H]2NC(=O)CSC3=NN=C(O3)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: 2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R,2R,4R)-norbornan-2-yl]acetamide
CAS Name: N-[(1R,3R,4R)-3-bicyclo[2.2.1]heptanyl]-2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide
IUPAC NAME: N-[(1R,3R,4R)-3-bicyclo[2.2.1]heptanyl]-2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
SYSTEMATIC NAME: N-[(1R,3R,4R)-3-bicyclo[2.2.1]heptanyl]-2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C17H19ClN4OS
MOLECULAR WEIGHT: 362.87696
SMILES: C1C[C@@H]2C[C@@H]1C[C@H]2NC(=O)CSC3=NNC(=N3)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: 1-[(1S,4S)-7,7-dimethyl-2-oxo-norbornan-1-yl]-N-(1-hydroxy-2,2,6,6-tetramethyl-4-piperidyl)-N-methyl-methanesulfonamide
CAS Name: 1-[(1S,4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]-N-(1-hydroxy-2,2,6,6-tetramethyl-4-piperidinyl)-N-methylmethanesulfonamide
IUPAC NAME: 1-[(1S,4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylmethanesulfonamide
SYSTEMATIC NAME: 1-[(1S,4S)-7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl]-N-methyl-N-(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)methanesulfonamide
MOLECULAR FORMULA: C20H36N2O4S
MOLECULAR WEIGHT: 400.57584
SMILES: CC1(CC(CC(N1O)(C)C)N(C)S(=O)(=O)C[C@@]23CC[C@H](C2(C)C)CC3=O)C
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MOLECULAR FORMULA: C16H18ClNO2
MOLECULAR WEIGHT: 291.77262
SMILES: COC1=C(C=C(C=C1)Cl)NC(=O)C2[C@H]3[C@@H]2[C@H]4CC[C@H]3C4
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Product OPENEYE NAME: 1-[(1S,4R,5S)-5-bicyclo[2.2.1]hept-2-enyl]-3-[[2-(1-oxophthalazin-2-yl)acetyl]amino]thiourea
CAS Name: 1-[(1S,4R,5S)-5-bicyclo[2.2.1]hept-2-enyl]-3-[[1-oxo-2-(1-oxo-2-phthalazinyl)ethyl]amino]thiourea
IUPAC NAME: 1-[(1S,4R,5S)-5-bicyclo[2.2.1]hept-2-enyl]-3-[[2-(1-oxophthalazin-2-yl)acetyl]amino]thiourea
SYSTEMATIC NAME: 1-[(1S,4R,5S)-5-bicyclo[2.2.1]hept-2-enyl]-3-[2-(1-oxidanylidenephthalazin-2-yl)ethanoylamino]thiourea
MOLECULAR FORMULA: C18H19N5O2S
MOLECULAR WEIGHT: 369.44076
SMILES: C1[C@H]2C[C@@H]([C@H]1C=C2)NC(=S)NNC(=O)CN3C(=O)C4=CC=CC=C4C=N3
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Product OPENEYE NAME: [(1S,2R,4R)-1,7,7-trimethylnorbornan-2-yl] 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetate
CAS Name: 2-[[3-(methylthio)-1,2,4-thiadiazol-5-yl]thio]acetic acid [(1R,3R,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] ester
IUPAC NAME: [(1R,3R,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetate
SYSTEMATIC NAME: [(1R,3R,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] 2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanoate
MOLECULAR FORMULA: C15H22N2O2S3
MOLECULAR WEIGHT: 358.54238
SMILES: C[C@]12CC[C@@H](C1(C)C)C[C@H]2OC(=O)CSC3=NC(=NS3)SC
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