CAS RN: 59236-88-3
CAS Name: 2-(dichloromethylsulfonylmethyl)-5-nitrofuran
OPENEYE Name: 2-(dichloromethylsulfonylmethyl)-5-nitro-furan
IUPAC Name: 2-(dichloromethylsulfonylmethyl)-5-nitrofuran
SYSTEMATIC NAME: 2-[bis(chloranyl)methylsulfonylmethyl]-5-nitro-furan
MOLECULAR FORMULA: C6H5Cl2NO5S
MOLECULAR WEIGHT: 274.0786
SMILES: C1=C(OC(=C1)[N+](=O)[O-])CS(=O)(=O)C(Cl)Cl
Structure:
CAS RN: 39272-75-8
CAS Name: 2-nitro-5-(thiophen-2-ylsulfonylmethyl)furan
OPENEYE Name: 2-nitro-5-(2-thienylsulfonylmethyl)furan
IUPAC Name: 2-nitro-5-(thiophen-2-ylsulfonylmethyl)furan
SYSTEMATIC NAME: 2-nitro-5-(thiophen-2-ylsulfonylmethyl)furan
MOLECULAR FORMULA: C9H7NO5S2
MOLECULAR WEIGHT: 273.28558
SMILES: C1=CSC(=C1)S(=O)(=O)CC2=CC=C(O2)[N+](=O)[O-]
Structure:
CAS RN: 53867-23-5
CAS Name: N-[4-[2-(5-chloro-2-furanyl)-1-(5-nitro-2-furanyl)ethenyl]sulfonylphenyl]acetamide
OPENEYE Name: N-[4-[2-(5-chloro-2-furyl)-1-(5-nitro-2-furyl)vinyl]sulfonylphenyl]acetamide
IUPAC Name: N-[4-[2-(5-chlorofuran-2-yl)-1-(5-nitrofuran-2-yl)ethenyl]sulfonylphenyl]acetamide
SYSTEMATIC NAME: N-[4-[2-(5-chloranylfuran-2-yl)-1-(5-nitrofuran-2-yl)ethenyl]sulfonylphenyl]ethanamide
MOLECULAR FORMULA: C18H13ClN2O7S
MOLECULAR WEIGHT: 436.82302
SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC=C(O2)Cl)C3=CC=C(O3)[N+](=O)[O-]
Structure:
CAS RN: 42545-56-2
CAS Name: 2-[1-(benzenesulfonyl)-2-(4-nitrophenyl)ethenyl]-5-nitrofuran
OPENEYE Name: 2-[1-(benzenesulfonyl)-2-(4-nitrophenyl)vinyl]-5-nitro-furan
IUPAC Name: 2-[1-(benzenesulfonyl)-2-(4-nitrophenyl)ethenyl]-5-nitrofuran
SYSTEMATIC NAME: 2-nitro-5-[2-(4-nitrophenyl)-1-(phenylsulfonyl)ethenyl]furan
MOLECULAR FORMULA: C18H12N2O7S
MOLECULAR WEIGHT: 400.36208
SMILES: C1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(O3)[N+](=O)[O-]
Structure:
CAS RN: 53288-63-4
CAS Name: 2-[2-(benzenesulfonyl)-2-(5-nitro-2-furanyl)ethenyl]-5-nitrofuran
OPENEYE Name: 2-[2-(benzenesulfonyl)-2-(5-nitro-2-furyl)vinyl]-5-nitro-furan
IUPAC Name: 2-[2-(benzenesulfonyl)-2-(5-nitrofuran-2-yl)ethenyl]-5-nitrofuran
SYSTEMATIC NAME: 2-nitro-5-[2-(5-nitrofuran-2-yl)-2-(phenylsulfonyl)ethenyl]furan
MOLECULAR FORMULA: C16H10N2O8S
MOLECULAR WEIGHT: 390.3242
SMILES: C1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC=C(O2)[N+](=O)[O-])C3=CC=C(O3)[N+](=O)[O-]
Structure:
CAS RN: 69856-33-3
CAS Name: 4-[[2-(5-nitro-2-furanyl)-2-oxoethyl]thio]benzoic acid methyl ester
OPENEYE Name: methyl 4-[2-(5-nitro-2-furyl)-2-oxo-ethyl]sulfanylbenzoate
IUPAC Name: methyl 4-[2-(5-nitrofuran-2-yl)-2-oxoethyl]sulfanylbenzoate
SYSTEMATIC NAME: methyl 4-[2-(5-nitrofuran-2-yl)-2-oxidanylidene-ethyl]sulfanylbenzoate
MOLECULAR FORMULA: C14H11NO6S
MOLECULAR WEIGHT: 321.30524
SMILES: COC(=O)C1=CC=C(C=C1)SCC(=O)C2=CC=C(O2)[N+](=O)[O-]
Structure:
CAS RN: 69856-29-7
CAS Name: 2-[(4-methoxyphenyl)thio]-1-(5-nitro-2-furanyl)ethanone
OPENEYE Name: 2-(4-methoxyphenyl)sulfanyl-1-(5-nitro-2-furyl)ethanone
IUPAC Name: 2-(4-methoxyphenyl)sulfanyl-1-(5-nitrofuran-2-yl)ethanone
SYSTEMATIC NAME: 2-(4-methoxyphenyl)sulfanyl-1-(5-nitrofuran-2-yl)ethanone
MOLECULAR FORMULA: C13H11NO5S
MOLECULAR WEIGHT: 293.29514
SMILES: COC1=CC=C(C=C1)SCC(=O)C2=CC=C(O2)[N+](=O)[O-]
Structure:
CAS RN: 40941-17-1
CAS Name: 2-(benzenesulfonylmethyl)-5-nitrofuran
OPENEYE Name: 2-(benzenesulfonylmethyl)-5-nitro-furan
IUPAC Name: 2-(benzenesulfonylmethyl)-5-nitrofuran
SYSTEMATIC NAME: 2-nitro-5-(phenylsulfonylmethyl)furan
MOLECULAR FORMULA: C11H9NO5S
MOLECULAR WEIGHT: 267.25786
SMILES: C1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)[N+](=O)[O-]
Structure:
CAS RN: 4803-99-0
CAS Name: 1-(3,4,5-trihydroxy-2-oxanyl)pyrimidine-2,4-dione
OPENEYE Name: 1-(3,4,5-trihydroxytetrahydropyran-2-yl)pyrimidine-2,4-dione
IUPAC Name: 1-(3,4,5-trihydroxyoxan-2-yl)pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[3,4,5-tris(oxidanyl)oxan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C9H12N2O6
MOLECULAR WEIGHT: 244.20138
SMILES: C1C(C(C(C(O1)N2C=CC(=O)NC2=O)O)O)O
Structure:
CAS RN: 62835-50-1
CAS Name: 1,2-bis(3-pyridazinyl)ethanol
OPENEYE Name: 1,2-di(pyridazin-3-yl)ethanol
IUPAC Name: 1,2-di(pyridazin-3-yl)ethanol
SYSTEMATIC NAME: 1,2-di(pyridazin-3-yl)ethanol
MOLECULAR FORMULA: C10H10N4O
MOLECULAR WEIGHT: 202.2126
SMILES: C1=CC(=NN=C1)CC(C2=NN=CC=C2)O
Structure:
CAS RN: 62835-47-6
CAS Name: N-phenyl-1-(3-pyridazinyl)methanimine
OPENEYE Name: N-phenyl-1-pyridazin-3-yl-methanimine
IUPAC Name: N-phenyl-1-pyridazin-3-ylmethanimine
SYSTEMATIC NAME: N-phenyl-1-pyridazin-3-yl-methanimine
MOLECULAR FORMULA: C11H9N3
MOLECULAR WEIGHT: 183.20926
SMILES: C1=CC=C(C=C1)N=CC2=NN=CC=C2
Structure:
CAS RN: 83539-90-6
CAS Name: 1-(1,3-benzodioxol-5-yl)-2-(3-pyridazinyl)ethanol
OPENEYE Name: 1-(1,3-benzodioxol-5-yl)-2-pyridazin-3-yl-ethanol
IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-pyridazin-3-ylethanol
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-yl)-2-pyridazin-3-yl-ethanol
MOLECULAR FORMULA: C13H12N2O3
MOLECULAR WEIGHT: 244.24598
SMILES: C1OC2=C(O1)C=C(C=C2)C(CC3=NN=CC=C3)O
Structure:
CAS RN: 61895-52-1
CAS Name: N-[[4-(aminomethyl)phenyl]methyl]-6-methoxy-5-(4-methoxyphenoxy)-8-quinolinamine
OPENEYE Name: N-[[4-(aminomethyl)phenyl]methyl]-6-methoxy-5-(4-methoxyphenoxy)quinolin-8-amine
IUPAC Name: N-[[4-(aminomethyl)phenyl]methyl]-6-methoxy-5-(4-methoxyphenoxy)quinolin-8-amine
SYSTEMATIC NAME: N-[[4-(aminomethyl)phenyl]methyl]-6-methoxy-5-(4-methoxyphenoxy)quinolin-8-amine
MOLECULAR FORMULA: C25H25N3O3
MOLECULAR WEIGHT: 415.4843
SMILES: COC1=CC=C(C=C1)OC2=C(C=C(C3=C2C=CC=N3)NCC4=CC=C(C=C4)CN)OC
Structure:
CAS RN: 61895-57-6
CAS Name: 2-[5-[[6-methoxy-5-(4-methoxyphenoxy)-8-quinolinyl]amino]pentyl]isoindole-1,3-dione
OPENEYE Name: 2-[5-[[6-methoxy-5-(4-methoxyphenoxy)-8-quinolyl]amino]pentyl]isoindoline-1,3-dione
IUPAC Name: 2-[5-[[6-methoxy-5-(4-methoxyphenoxy)quinolin-8-yl]amino]pentyl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[5-[[6-methoxy-5-(4-methoxyphenoxy)quinolin-8-yl]amino]pentyl]isoindole-1,3-dione
MOLECULAR FORMULA: C30H29N3O5
MOLECULAR WEIGHT: 511.56836
SMILES: COC1=CC=C(C=C1)OC2=C(C=C(C3=C2C=CC=N3)NCCCCCN4C(=O)C5=CC=CC=C5C4=O)OC
Structure:
CAS RN: 60947-40-2
CAS Name: 2-(chloromethyl)-5-oxo-2-oxolanecarboxylic acid propyl ester
OPENEYE Name: propyl 2-(chloromethyl)-5-oxo-tetrahydrofuran-2-carboxylate
IUPAC Name: propyl 2-(chloromethyl)-5-oxooxolane-2-carboxylate
SYSTEMATIC NAME: propyl 2-(chloromethyl)-5-oxidanylidene-oxolane-2-carboxylate
MOLECULAR FORMULA: C9H13ClO4
MOLECULAR WEIGHT: 220.65012
SMILES: CCCOC(=O)C1(CCC(=O)O1)CCl
Structure:
CAS RN: 53856-92-1
CAS Name: 2-(bromomethyl)-5-oxo-2-oxolanecarboxylic acid
OPENEYE Name: 2-(bromomethyl)-5-oxo-tetrahydrofuran-2-carboxylic acid
IUPAC Name: 2-(bromomethyl)-5-oxooxolane-2-carboxylic acid
SYSTEMATIC NAME: 2-(bromomethyl)-5-oxidanylidene-oxolane-2-carboxylic acid
MOLECULAR FORMULA: C6H7BrO4
MOLECULAR WEIGHT: 223.02138
SMILES: C1CC(OC1=O)(CBr)C(=O)O
Structure:
CAS RN: 53856-91-0
CAS Name: 2-(chloromethyl)-5-oxo-2-oxolanecarboxylic acid
OPENEYE Name: 2-(chloromethyl)-5-oxo-tetrahydrofuran-2-carboxylic acid
IUPAC Name: 2-(chloromethyl)-5-oxooxolane-2-carboxylic acid
SYSTEMATIC NAME: 2-(chloromethyl)-5-oxidanylidene-oxolane-2-carboxylic acid
MOLECULAR FORMULA: C6H7ClO4
MOLECULAR WEIGHT: 178.57038
SMILES: C1CC(OC1=O)(CCl)C(=O)O
Structure:
CAS RN: 61284-04-6
CAS Name: 3-[5-amino-1-(phenylmethyl)-4-imidazolyl]-2H-1,2,4-oxadiazol-5-one
OPENEYE Name: 3-(5-amino-1-benzyl-imidazol-4-yl)-2H-1,2,4-oxadiazol-5-one
IUPAC Name: 3-(5-amino-1-benzylimidazol-4-yl)-2H-1,2,4-oxadiazol-5-one
SYSTEMATIC NAME: 3-[5-azanyl-1-(phenylmethyl)imidazol-4-yl]-2H-1,2,4-oxadiazol-5-one
MOLECULAR FORMULA: C12H11N5O2
MOLECULAR WEIGHT: 257.24804
SMILES: C1=CC=C(C=C1)CN2C=NC(=C2N)C3=NC(=O)ON3
Structure:
CAS RN: 61284-02-4
CAS Name: N-[5-(5-oxo-2H-1,2,4-oxadiazol-3-yl)-1H-imidazol-4-yl]formamide
OPENEYE Name: N-[5-(5-oxo-2H-1,2,4-oxadiazol-3-yl)-1H-imidazol-4-yl]formamide
IUPAC Name: N-[5-(5-oxo-2H-1,2,4-oxadiazol-3-yl)-1H-imidazol-4-yl]formamide
SYSTEMATIC NAME: N-[5-(5-oxidanylidene-2H-1,2,4-oxadiazol-3-yl)-1H-imidazol-4-yl]methanamide
MOLECULAR FORMULA: C6H5N5O3
MOLECULAR WEIGHT: 195.1356
SMILES: C1=NC(=C(N1)C2=NC(=O)ON2)NC=O
Structure:
CAS RN: 61284-00-2
CAS Name: 9H-[1,2,4]oxadiazolo[3,2-f]purin-2-one
OPENEYE Name: 9H-[1,2,4]oxadiazolo[3,2-f]purin-2-one
IUPAC Name: 9H-[1,2,4]oxadiazolo[3,2-f]purin-2-one
SYSTEMATIC NAME: 9H-[1,2,4]oxadiazolo[3,2-f]purin-2-one
MOLECULAR FORMULA: C6H3N5O2
MOLECULAR WEIGHT: 177.12032
SMILES: C1=NC2=C(N1)C3=NC(=O)ON3C=N2
Structure:
CAS RN: 62234-98-4
CAS Name: 4-amino-3-(3-chlorophenyl)spiro[4.5]deca-3,6,9-triene-2,8-dione
OPENEYE Name: 4-amino-3-(3-chlorophenyl)spiro[4.5]deca-3,6,9-triene-2,8-dione
IUPAC Name: 4-amino-3-(3-chlorophenyl)spiro[4.5]deca-3,6,9-triene-2,8-dione
SYSTEMATIC NAME: 4-azanyl-3-(3-chlorophenyl)spiro[4.5]deca-3,6,9-triene-2,8-dione
MOLECULAR FORMULA: C16H12ClNO2
MOLECULAR WEIGHT: 285.72498
SMILES: C1C(=O)C(=C(C12C=CC(=O)C=C2)N)C3=CC(=CC=C3)Cl
Structure:
CAS RN: 15367-50-7
CAS Name: [(3,5-ditert-butyl-4-hydroxyphenyl)methylthio]methanethioic acid O-ethyl ester
OPENEYE Name: O-ethyl (3,5-ditert-butyl-4-hydroxy-phenyl)methylsulfanylmethanethioate
IUPAC Name: O-ethyl (3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanylmethanethioate
SYSTEMATIC NAME: O-ethyl (3,5-ditert-butyl-4-oxidanyl-phenyl)methylsulfanylmethanethioate
MOLECULAR FORMULA: C18H28O2S2
MOLECULAR WEIGHT: 340.54372
SMILES: CCOC(=S)SCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
Structure:
CAS RN: 69241-95-8
CAS Name: 2,3-dimethoxy-5-[(triphenylmethyl)thio]cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,3-dimethoxy-5-tritylsulfanyl-1,4-benzoquinone
IUPAC Name: 2,3-dimethoxy-5-tritylsulfanylcyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,3-dimethoxy-5-(triphenylmethyl)sulfanyl-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C27H22O4S
MOLECULAR WEIGHT: 442.52618
SMILES: COC1=C(C(=O)C(=CC1=O)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OC
Structure:
CAS RN: 886-64-6
CAS Name: N-(3-amino-3-oxopropyl)carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-(3-amino-3-oxo-propyl)carbamate
IUPAC Name: benzyl N-(3-amino-3-oxopropyl)carbamate
SYSTEMATIC NAME: (phenylmethyl) N-(3-azanyl-3-oxidanylidene-propyl)carbamate
MOLECULAR FORMULA: C11H14N2O3
MOLECULAR WEIGHT: 222.24046
SMILES: C1=CC=C(C=C1)COC(=O)NCCC(=O)N
Structure:
CAS RN: 68160-33-8
CAS Name: 2,3-dimethoxy-5-[(3-methoxyphenyl)thio]cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,3-dimethoxy-5-(3-methoxyphenyl)sulfanyl-1,4-benzoquinone
IUPAC Name: 2,3-dimethoxy-5-(3-methoxyphenyl)sulfanylcyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,3-dimethoxy-5-(3-methoxyphenyl)sulfanyl-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C15H14O5S
MOLECULAR WEIGHT: 306.33366
SMILES: COC1=CC(=CC=C1)SC2=CC(=O)C(=C(C2=O)OC)OC
Structure:
CAS RN: 1133-17-1
CAS Name: 4-tert-butylbenzenesulfonic acid
OPENEYE Name: 4-tert-butylbenzenesulfonic acid
IUPAC Name: 4-tert-butylbenzenesulfonic acid
SYSTEMATIC NAME: 4-tert-butylbenzenesulfonic acid
MOLECULAR FORMULA: C10H14O3S
MOLECULAR WEIGHT: 214.28136
SMILES: CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)O
Structure:
CAS RN: 42471-43-2
CAS Name: 1-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-3-(2-chloroethyl)urea
OPENEYE Name: 1-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-3-(2-chloroethyl)urea
IUPAC Name: 1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-chloroethyl)urea
SYSTEMATIC NAME: 1-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-3-(2-chloroethyl)urea
MOLECULAR FORMULA: C9H14ClN5O
MOLECULAR WEIGHT: 243.69336
SMILES: CC1=NC=C(C(=N1)N)CNC(=O)NCCCl
Structure:
CAS RN: 61371-55-9
CAS Name: 6,7-dihydroxy-7,7a-dihydro-6H-benzofuran-2-one
OPENEYE Name: 6,7-dihydroxy-7,7a-dihydro-6H-benzofuran-2-one
IUPAC Name: 6,7-dihydroxy-7,7a-dihydro-6H-1-benzofuran-2-one
SYSTEMATIC NAME: 6,7-bis(oxidanyl)-7,7a-dihydro-6H-1-benzofuran-2-one
MOLECULAR FORMULA: C8H8O4
MOLECULAR WEIGHT: 168.14672
SMILES: C1=CC2=CC(=O)OC2C(C1O)O
Structure:
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