CAS RN: 864685-35-8
CAS Name: 2-(2,2-diethoxyethyl)-2-prop-2-enyl-1,3-dithiane
OPENEYE Name: 2-allyl-2-(2,2-diethoxyethyl)-1,3-dithiane
IUPAC Name: 2-(2,2-diethoxyethyl)-2-prop-2-enyl-1,3-dithiane
SYSTEMATIC NAME: 2-(2,2-diethoxyethyl)-2-prop-2-enyl-1,3-dithiane
MOLECULAR FORMULA: C13H24O2S2
MOLECULAR WEIGHT: 276.45846
SMILES: CCOC(CC1(SCCCS1)CC=C)OCC
Structure:
CAS RN: 850349-82-5
CAS Name: 1-bromo-4-(2,2-diethoxyethoxy)-2,3,5-trifluorobenzene
OPENEYE Name: 1-bromo-4-(2,2-diethoxyethoxy)-2,3,5-trifluoro-benzene
IUPAC Name: 1-bromo-4-(2,2-diethoxyethoxy)-2,3,5-trifluorobenzene
SYSTEMATIC NAME: 1-bromanyl-4-(2,2-diethoxyethoxy)-2,3,5-tris(fluoranyl)benzene
MOLECULAR FORMULA: C12H14BrF3O3
MOLECULAR WEIGHT: 343.13697
SMILES: CCOC(COC1=C(C(=C(C=C1F)Br)F)F)OCC
Structure:
CAS RN: 864685-34-7
CAS Name: 1-(2,2-diethoxyethoxy)-4-(trifluoromethylthio)benzene
OPENEYE Name: 1-(2,2-diethoxyethoxy)-4-(trifluoromethylsulfanyl)benzene
IUPAC Name: 1-(2,2-diethoxyethoxy)-4-(trifluoromethylsulfanyl)benzene
SYSTEMATIC NAME: 1-(2,2-diethoxyethoxy)-4-(trifluoromethylsulfanyl)benzene
MOLECULAR FORMULA: C13H17F3O3S
MOLECULAR WEIGHT: 310.33249
SMILES: CCOC(COC1=CC=C(C=C1)SC(F)(F)F)OCC
Structure:
CAS RN: 864685-33-6
CAS Name: 1-(2,2-diethoxyethoxy)-4-(difluoromethylthio)benzene
OPENEYE Name: 1-(2,2-diethoxyethoxy)-4-(difluoromethylsulfanyl)benzene
IUPAC Name: 1-(2,2-diethoxyethoxy)-4-(difluoromethylsulfanyl)benzene
SYSTEMATIC NAME: 1-[bis(fluoranyl)methylsulfanyl]-4-(2,2-diethoxyethoxy)benzene
MOLECULAR FORMULA: C13H18F2O3S
MOLECULAR WEIGHT: 292.342026
SMILES: CCOC(COC1=CC=C(C=C1)SC(F)F)OCC
Structure:
CAS RN: 850349-80-3
CAS Name: 6-bromo-4-(2,2-dimethoxyethylthio)-2-(trifluoromethyl)quinoline
OPENEYE Name: 6-bromo-4-(2,2-dimethoxyethylsulfanyl)-2-(trifluoromethyl)quinoline
IUPAC Name: 6-bromo-4-(2,2-dimethoxyethylsulfanyl)-2-(trifluoromethyl)quinoline
SYSTEMATIC NAME: 6-bromanyl-4-(2,2-dimethoxyethylsulfanyl)-2-(trifluoromethyl)quinoline
MOLECULAR FORMULA: C14H13BrF3NO2S
MOLECULAR WEIGHT: 396.22273
SMILES: COC(CSC1=CC(=NC2=C1C=C(C=C2)Br)C(F)(F)F)OC
Structure:
CAS RN: 850349-78-9
CAS Name: N-(2-bromo-4-chlorophenyl)-4-(ethoxymethoxy)benzamide
OPENEYE Name: N-(2-bromo-4-chloro-phenyl)-4-(ethoxymethoxy)benzamide
IUPAC Name: N-(2-bromo-4-chlorophenyl)-4-(ethoxymethoxy)benzamide
SYSTEMATIC NAME: N-(2-bromanyl-4-chloranyl-phenyl)-4-(ethoxymethoxy)benzamide
MOLECULAR FORMULA: C16H15BrClNO3
MOLECULAR WEIGHT: 384.6522
SMILES: CCOCOC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)Cl)Br
Structure:
CAS RN: 850349-76-7
CAS Name: 5-(1,3-benzodioxol-5-yl)-3-(4-bromophenyl)isothiazole
OPENEYE Name: 5-(1,3-benzodioxol-5-yl)-3-(4-bromophenyl)isothiazole
IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-(4-bromophenyl)-1,2-thiazole
SYSTEMATIC NAME: 5-(1,3-benzodioxol-5-yl)-3-(4-bromophenyl)-1,2-thiazole
MOLECULAR FORMULA: C16H10BrNO2S
MOLECULAR WEIGHT: 360.2251
SMILES: C1OC2=C(O1)C=C(C=C2)C3=CC(=NS3)C4=CC=C(C=C4)Br
Structure:
CAS RN: 850349-74-5
CAS Name: 5-(6-bromo-1,3-benzodioxol-5-yl)oxazole
OPENEYE Name: 5-(6-bromo-1,3-benzodioxol-5-yl)oxazole
IUPAC Name: 5-(6-bromo-1,3-benzodioxol-5-yl)-1,3-oxazole
SYSTEMATIC NAME: 5-(6-bromanyl-1,3-benzodioxol-5-yl)-1,3-oxazole
MOLECULAR FORMULA: C10H6BrNO3
MOLECULAR WEIGHT: 268.06354
SMILES: C1OC2=C(O1)C=C(C(=C2)C3=CN=CO3)Br
Structure:
CAS RN: 193882-74-5
CAS Name: 2-(2-fluoroethoxy)-5-iodobenzoic acid methyl ester
OPENEYE Name: methyl 2-(2-fluoroethoxy)-5-iodo-benzoate
IUPAC Name: methyl 2-(2-fluoroethoxy)-5-iodobenzoate
SYSTEMATIC NAME: methyl 2-(2-fluoranylethoxy)-5-iodanyl-benzoate
MOLECULAR FORMULA: C10H10FIO3
MOLECULAR WEIGHT: 324.087473
SMILES: COC(=O)C1=C(C=CC(=C1)I)OCCF
Structure:
CAS RN: 191602-70-7
CAS Name: 2-bromo-1-(2-fluoroethoxy)-4-nitrobenzene
OPENEYE Name: 2-bromo-1-(2-fluoroethoxy)-4-nitro-benzene
IUPAC Name: 2-bromo-1-(2-fluoroethoxy)-4-nitrobenzene
SYSTEMATIC NAME: 2-bromanyl-1-(2-fluoranylethoxy)-4-nitro-benzene
MOLECULAR FORMULA: C8H7BrFNO3
MOLECULAR WEIGHT: 264.048483
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Br)OCCF
Structure:
CAS RN: 87597-20-4
CAS Name: 8-imidazo[1,2-a]pyrazinecarboxylic acid ethyl ester
OPENEYE Name: ethyl imidazo[1,2-a]pyrazine-8-carboxylate
IUPAC Name: ethyl imidazo[1,2-a]pyrazine-8-carboxylate
SYSTEMATIC NAME: ethyl imidazo[1,2-a]pyrazine-8-carboxylate
MOLECULAR FORMULA: C9H9N3O2
MOLECULAR WEIGHT: 191.18666
SMILES: CCOC(=O)C1=NC=CN2C1=NC=C2
Structure:
CAS RN: 252357-31-6
CAS Name: 2-acetamido-2-(2,2-difluoroethyl)propanedioic acid diethyl ester
OPENEYE Name: diethyl 2-acetamido-2-(2,2-difluoroethyl)propanedioate
IUPAC Name: diethyl 2-acetamido-2-(2,2-difluoroethyl)propanedioate
SYSTEMATIC NAME: diethyl 2-acetamido-2-[2,2-bis(fluoranyl)ethyl]propanedioate
MOLECULAR FORMULA: C11H17F2NO5
MOLECULAR WEIGHT: 281.253186
SMILES: CCOC(=O)C(CC(F)F)(C(=O)OCC)NC(=O)C
Structure:
CAS RN: 497933-46-7
CAS Name: 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetonitrile
OPENEYE Name: 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetonitrile
IUPAC Name: 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetonitrile
SYSTEMATIC NAME: 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanenitrile
MOLECULAR FORMULA: C9H10N2S
MOLECULAR WEIGHT: 178.2541
SMILES: C1CCC2=C(C1)N=C(S2)CC#N
Structure:
CAS RN: 36461-20-8
CAS Name: 2-(4-morpholinyl)-1-cyclobutanone hydrochloride
OPENEYE Name: 2-morpholinocyclobutanone hydrochloride
IUPAC Name: 2-morpholin-4-ylcyclobutan-1-one hydrochloride
SYSTEMATIC NAME: 2-morpholin-4-ylcyclobutan-1-one hydrochloride
MOLECULAR FORMULA: C8H14ClNO2
MOLECULAR WEIGHT: 191.65526
SMILES: C1CC(=O)C1N2CCOCC2.Cl
Structure:
CAS RN: 864685-27-8
CAS Name: 4-[4-(2-piperazinyl)phenyl]morpholine
OPENEYE Name: 4-(4-piperazin-2-ylphenyl)morpholine
IUPAC Name: 4-(4-piperazin-2-ylphenyl)morpholine
SYSTEMATIC NAME: 4-(4-piperazin-2-ylphenyl)morpholine
MOLECULAR FORMULA: C14H21N3O
MOLECULAR WEIGHT: 247.33604
SMILES: C1CNC(CN1)C2=CC=C(C=C2)N3CCOCC3
Structure:
CAS RN: 864685-26-7
CAS Name: 5-cyano-3-iodo-1-indolecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 5-cyano-3-iodo-indole-1-carboxylate
IUPAC Name: tert-butyl 5-cyano-3-iodoindole-1-carboxylate
SYSTEMATIC NAME: tert-butyl 5-cyano-3-iodanyl-indole-1-carboxylate
MOLECULAR FORMULA: C14H13IN2O2
MOLECULAR WEIGHT: 368.16969
SMILES: CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)C#N)I
Structure:
CAS RN: 850349-72-3
CAS Name: 5-bromo-3-iodo-1-indolecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 5-bromo-3-iodo-indole-1-carboxylate
IUPAC Name: tert-butyl 5-bromo-3-iodoindole-1-carboxylate
SYSTEMATIC NAME: tert-butyl 5-bromanyl-3-iodanyl-indole-1-carboxylate
MOLECULAR FORMULA: C13H13BrINO2
MOLECULAR WEIGHT: 422.05629
SMILES: CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)Br)I
Structure:
CAS RN: 864685-25-6
CAS Name: 3-(3-chlorophenyl)thiomorpholine
OPENEYE Name: 3-(3-chlorophenyl)thiomorpholine
IUPAC Name: 3-(3-chlorophenyl)thiomorpholine
SYSTEMATIC NAME: 3-(3-chlorophenyl)thiomorpholine
MOLECULAR FORMULA: C10H12ClNS
MOLECULAR WEIGHT: 213.72698
SMILES: C1CSCC(N1)C2=CC(=CC=C2)Cl
Structure:
CAS RN: 144873-99-4
CAS Name: 2-(6-bromo-3-pyridinyl)acetonitrile
OPENEYE Name: 2-(6-bromo-3-pyridyl)acetonitrile
IUPAC Name: 2-(6-bromopyridin-3-yl)acetonitrile
SYSTEMATIC NAME: 2-(6-bromanylpyridin-3-yl)ethanenitrile
MOLECULAR FORMULA: C7H5BrN2
MOLECULAR WEIGHT: 197.032
SMILES: C1=CC(=NC=C1CC#N)Br
Structure:
CAS RN: 850349-70-1
CAS Name: 2-(5-bromo-3,4-dimethoxy-2-pyridinyl)acetonitrile
OPENEYE Name: 2-(5-bromo-3,4-dimethoxy-2-pyridyl)acetonitrile
IUPAC Name: 2-(5-bromo-3,4-dimethoxypyridin-2-yl)acetonitrile
SYSTEMATIC NAME: 2-(5-bromanyl-3,4-dimethoxy-pyridin-2-yl)ethanenitrile
MOLECULAR FORMULA: C9H9BrN2O2
MOLECULAR WEIGHT: 257.08396
SMILES: COC1=C(C(=NC=C1Br)CC#N)OC
Structure:
CAS RN: 854278-84-5
CAS Name: 2-(3,4-dimethoxy-2-pyridinyl)acetonitrile
OPENEYE Name: 2-(3,4-dimethoxy-2-pyridyl)acetonitrile
IUPAC Name: 2-(3,4-dimethoxypyridin-2-yl)acetonitrile
SYSTEMATIC NAME: 2-(3,4-dimethoxypyridin-2-yl)ethanenitrile
MOLECULAR FORMULA: C9H10N2O2
MOLECULAR WEIGHT: 178.1879
SMILES: COC1=C(C(=NC=C1)CC#N)OC
Structure:
CAS RN: 850349-68-7
CAS Name: 4-bromo-2-(3-pyridinyl)-4-pentenenitrile
OPENEYE Name: 4-bromo-2-(3-pyridyl)pent-4-enenitrile
IUPAC Name: 4-bromo-2-pyridin-3-ylpent-4-enenitrile
SYSTEMATIC NAME: 4-bromanyl-2-pyridin-3-yl-pent-4-enenitrile
MOLECULAR FORMULA: C10H9BrN2
MOLECULAR WEIGHT: 237.09586
SMILES: C=C(CC(C#N)C1=CN=CC=C1)Br
Structure:
CAS RN: 850349-66-5
CAS Name: 3-(3-bromophenyl)-2-(3-pyridinyl)propanenitrile
OPENEYE Name: 3-(3-bromophenyl)-2-(3-pyridyl)propanenitrile
IUPAC Name: 3-(3-bromophenyl)-2-pyridin-3-ylpropanenitrile
SYSTEMATIC NAME: 3-(3-bromophenyl)-2-pyridin-3-yl-propanenitrile
MOLECULAR FORMULA: C14H11BrN2
MOLECULAR WEIGHT: 287.15454
SMILES: C1=CC(=CC(=C1)Br)CC(C#N)C2=CN=CC=C2
Structure:
CAS RN: 864759-49-9
CAS Name: 2-(2-furanylmethylsulfinyl)acetic acid methyl ester
OPENEYE Name: methyl 2-(2-furylmethylsulfinyl)acetate
IUPAC Name: methyl 2-(furan-2-ylmethylsulfinyl)acetate
SYSTEMATIC NAME: methyl 2-(furan-2-ylmethylsulfinyl)ethanoate
MOLECULAR FORMULA: C8H10O4S
MOLECULAR WEIGHT: 202.2276
SMILES: COC(=O)CS(=O)CC1=CC=CO1
Structure:
CAS RN: 864685-23-4
CAS Name: 1-[(3-nitrophenyl)methylsulfonyl]pyrrolidine
OPENEYE Name: 1-[(3-nitrophenyl)methylsulfonyl]pyrrolidine
IUPAC Name: 1-[(3-nitrophenyl)methylsulfonyl]pyrrolidine
SYSTEMATIC NAME: 1-[(3-nitrophenyl)methylsulfonyl]pyrrolidine
MOLECULAR FORMULA: C11H14N2O4S
MOLECULAR WEIGHT: 270.30486
SMILES: C1CCN(C1)S(=O)(=O)CC2=CC(=CC=C2)[N+](=O)[O-]
Structure:
CAS RN: 380605-23-2
CAS Name: 3-cyclopropyl-1H-imidazo[4,5-b]pyridin-2-one
OPENEYE Name: 3-cyclopropyl-1H-imidazo[4,5-b]pyridin-2-one
IUPAC Name: 3-cyclopropyl-1H-imidazo[4,5-b]pyridin-2-one
SYSTEMATIC NAME: 3-cyclopropyl-1H-imidazo[4,5-b]pyridin-2-one
MOLECULAR FORMULA: C9H9N3O
MOLECULAR WEIGHT: 175.18726
SMILES: C1CC1N2C3=C(C=CC=N3)NC2=O
Structure:
CAS RN: 864685-22-3
CAS Name: 3-[[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1,4-diazepan-1-yl]sulfonyl]benzoic acid
OPENEYE Name: 3-[(4-tert-butoxycarbonyl-1,4-diazepan-1-yl)sulfonyl]benzoic acid
IUPAC Name: 3-[[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-yl]sulfonyl]benzoic acid
SYSTEMATIC NAME: 3-[[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-yl]sulfonyl]benzoic acid
MOLECULAR FORMULA: C17H24N2O6S
MOLECULAR WEIGHT: 384.44726
SMILES: CC(C)(C)OC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O
Structure:
CAS RN: 850349-64-3
CAS Name: 3-[5-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]pentoxy]benzoic acid
OPENEYE Name: 3-[5-(9H-fluoren-9-ylmethoxycarbonylamino)pentoxy]benzoic acid
IUPAC Name: 3-[5-(9H-fluoren-9-ylmethoxycarbonylamino)pentoxy]benzoic acid
SYSTEMATIC NAME: 3-[5-(9H-fluoren-9-ylmethoxycarbonylamino)pentoxy]benzoic acid
MOLECULAR FORMULA: C27H27NO5
MOLECULAR WEIGHT: 445.50698
SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCCCCOC4=CC=CC(=C4)C(=O)O
Structure:
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