CAS RN: 70657-63-5
CAS Name: 2-chloro-N,N-di(propan-2-yl)benzamide
OPENEYE Name: 2-chloro-N,N-diisopropyl-benzamide
IUPAC Name: 2-chloro-N,N-di(propan-2-yl)benzamide
SYSTEMATIC NAME: 2-chloranyl-N,N-di(propan-2-yl)benzamide
MOLECULAR FORMULA: C13H18ClNO
MOLECULAR WEIGHT: 239.74112
SMILES: CC(C)N(C(C)C)C(=O)C1=CC=CC=C1Cl
Structure:
CAS RN: 599191-73-8
CAS Name: 4-iodo-1H-indazol-3-amine
OPENEYE Name: 4-iodo-1H-indazol-3-amine
IUPAC Name: 4-iodo-1H-indazol-3-amine
SYSTEMATIC NAME: 4-iodanyl-1H-indazol-3-amine
MOLECULAR FORMULA: C7H6IN3
MOLECULAR WEIGHT: 259.04711
SMILES: C1=CC2=C(C(=C1)I)C(=NN2)N
Structure:
CAS RN: 6967-58-4
CAS Name: 2-(ethylthio)-6-methyl-1H-pyrimidine-4-thione
OPENEYE Name: 2-ethylsulfanyl-6-methyl-1H-pyrimidine-4-thione
IUPAC Name: 2-ethylsulfanyl-6-methyl-1H-pyrimidine-4-thione
SYSTEMATIC NAME: 2-ethylsulfanyl-6-methyl-1H-pyrimidine-4-thione
MOLECULAR FORMULA: C7H10N2S2
MOLECULAR WEIGHT: 186.2977
SMILES: CCSC1=NC(=S)C=C(N1)C
Structure:
CAS RN: 6941-97-5
CAS Name: 1,3-bis[3-(4-morpholinyl)propyl]thiourea
OPENEYE Name: 1,3-bis(3-morpholinopropyl)thiourea
IUPAC Name: 1,3-bis(3-morpholin-4-ylpropyl)thiourea
SYSTEMATIC NAME: 1,3-bis(3-morpholin-4-ylpropyl)thiourea
MOLECULAR FORMULA: C15H30N4O2S
MOLECULAR WEIGHT: 330.4893
SMILES: C1COCCN1CCCNC(=S)NCCCN2CCOCC2
Structure:
CAS RN: 29968-78-3
CAS Name: 2-(4-nitrophenyl)ethylammonium
OPENEYE Name: 2-(4-nitrophenyl)ethylammonium
IUPAC Name: 2-(4-nitrophenyl)ethylazanium
SYSTEMATIC NAME: 2-(4-nitrophenyl)ethylazanium
MOLECULAR FORMULA: C8H11N2O2+
MOLECULAR WEIGHT: 167.18514
SMILES: C1=CC(=CC=C1CC[NH3+])[N+](=O)[O-]
Structure:
CAS RN: 36974-65-9
CAS Name: 3-[(4-chlorophenyl)sulfonylamino]propanoate
OPENEYE Name: 3-[(4-chlorophenyl)sulfonylamino]propanoate
IUPAC Name: 3-[(4-chlorophenyl)sulfonylamino]propanoate
SYSTEMATIC NAME: 3-[(4-chlorophenyl)sulfonylamino]propanoate
MOLECULAR FORMULA: C9H9ClNO4S-
MOLECULAR WEIGHT: 262.69006
SMILES: C1=CC(=CC=C1S(=O)(=O)NCCC(=O)[O-])Cl
Structure:
CAS RN: 19652-13-2
CAS Name: 5-(4-methoxyphenyl)-2-phenyl-3-pyrazolamine
OPENEYE Name: 5-(4-methoxyphenyl)-2-phenyl-pyrazol-3-amine
IUPAC Name: 5-(4-methoxyphenyl)-2-phenylpyrazol-3-amine
SYSTEMATIC NAME: 5-(4-methoxyphenyl)-2-phenyl-pyrazol-3-amine
MOLECULAR FORMULA: C16H15N3O
MOLECULAR WEIGHT: 265.3098
SMILES: COC1=CC=C(C=C1)C2=NN(C(=C2)N)C3=CC=CC=C3
Structure:
CAS RN: 588-20-5
CAS Name: 2-(4-chloro-3-methylphenoxy)acetate
OPENEYE Name: 2-(4-chloro-3-methyl-phenoxy)acetate
IUPAC Name: 2-(4-chloro-3-methylphenoxy)acetate
SYSTEMATIC NAME: 2-(4-chloranyl-3-methyl-phenoxy)ethanoate
MOLECULAR FORMULA: C9H8ClO3-
MOLECULAR WEIGHT: 199.61102
SMILES: CC1=C(C=CC(=C1)OCC(=O)[O-])Cl
Structure:
CAS RN: 163704-72-1
CAS Name: 4-nitro-2,6-di(propan-2-yl)aniline
OPENEYE Name: 2,6-diisopropyl-4-nitro-aniline
IUPAC Name: 4-nitro-2,6-di(propan-2-yl)aniline
SYSTEMATIC NAME: 4-nitro-2,6-di(propan-2-yl)aniline
MOLECULAR FORMULA: C12H18N2O2
MOLECULAR WEIGHT: 222.28352
SMILES: CC(C)C1=CC(=CC(=C1N)C(C)C)[N+](=O)[O-]
Structure:
CAS RN: 35144-70-8
CAS Name: 1-prop-2-enyl-3-[3-[4-[3-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]propyl]-1-piperazinyl]propyl]thiourea
OPENEYE Name: 1-allyl-3-[3-[4-[3-(allylcarbamothioylamino)propyl]piperazin-1-yl]propyl]thiourea
IUPAC Name: 1-prop-2-enyl-3-[3-[4-[3-(prop-2-enylcarbamothioylamino)propyl]piperazin-1-yl]propyl]thiourea
SYSTEMATIC NAME: 1-prop-2-enyl-3-[3-[4-[3-(prop-2-enylcarbamothioylamino)propyl]piperazin-1-yl]propyl]thiourea
MOLECULAR FORMULA: C18H34N6S2
MOLECULAR WEIGHT: 398.63276
SMILES: C=CCNC(=S)NCCCN1CCN(CC1)CCCNC(=S)NCC=C
Structure:
CAS RN: 215229-19-9
CAS Name: 1-amino-1-cyclodecanecarboxylic acid
OPENEYE Name: 1-aminocyclodecanecarboxylic acid
IUPAC Name: 1-aminocyclodecane-1-carboxylic acid
SYSTEMATIC NAME: 1-azanylcyclodecane-1-carboxylic acid
MOLECULAR FORMULA: C11H21NO2
MOLECULAR WEIGHT: 199.28994
SMILES: C1CCCCC(CCCC1)(C(=O)O)N
Structure:
CAS RN: 368441-99-0
CAS Name: 2-(2-methoxy-2-oxoethyl)piperazine-1,4-dicarboxylic acid ditert-butyl ester
OPENEYE Name: ditert-butyl 2-(2-methoxy-2-oxo-ethyl)piperazine-1,4-dicarboxylate
IUPAC Name: ditert-butyl 2-(2-methoxy-2-oxoethyl)piperazine-1,4-dicarboxylate
SYSTEMATIC NAME: ditert-butyl 2-(2-methoxy-2-oxidanylidene-ethyl)piperazine-1,4-dicarboxylate
MOLECULAR FORMULA: C17H30N2O6
MOLECULAR WEIGHT: 358.4299
SMILES: CC(C)(C)OC(=O)N1CCN(C(C1)CC(=O)OC)C(=O)OC(C)(C)C
Structure:
CAS RN: 45521-08-2
CAS Name: 4-oxazolidinecarboxylic acid
OPENEYE Name: oxazolidine-4-carboxylic acid
IUPAC Name: 1,3-oxazolidine-4-carboxylic acid
SYSTEMATIC NAME: 1,3-oxazolidine-4-carboxylic acid
MOLECULAR FORMULA: C4H7NO3
MOLECULAR WEIGHT: 117.10328
SMILES: C1C(NCO1)C(=O)O
Structure:
CAS RN: 314042-69-8
CAS Name: 4-[(4-methylphenyl)sulfonylamino]-1-cyclohexanecarboxylate
OPENEYE Name: 4-(p-tolylsulfonylamino)cyclohexanecarboxylate
IUPAC Name: 4-[(4-methylphenyl)sulfonylamino]cyclohexane-1-carboxylate
SYSTEMATIC NAME: 4-[(4-methylphenyl)sulfonylamino]cyclohexane-1-carboxylate
MOLECULAR FORMULA: C14H18NO4S-
MOLECULAR WEIGHT: 296.36202
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2CCC(CC2)C(=O)[O-]
Structure:
CAS RN: 97474-88-9
CAS Name: 31-amino-7-[3-(diaminomethylideneamino)propyl]-25-(hydroxymethyl)-19-[(4-hydroxyphenyl)methyl]-28-(1H-imidazol-5-ylmethyl)-6,9,12,15,18,21,24,27,30-nonaoxo-10,16-di(propan-2-yl)-1,2-dithia-5,8,11,14,17,20,23,26,29-nonazacyclodotriacontane-4-carboxylic aci
OPENEYE Name: 31-amino-7-(3-guanidinopropyl)-25-(hydroxymethyl)-19-[(4-hydroxyphenyl)methyl]-28-(1H-imidazol-5-ylmethyl)-10,16-diisopropyl-6,9,12,15,18,21,24,27,30-nonaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29-nonazacyclodotriacontane-4-carboxylic acid
IUPAC Name: 31-amino-7-[3-(diaminomethylideneamino)propyl]-25-(hydroxymethyl)-19-[(4-hydroxyphenyl)methyl]-28-(1H-imidazol-5-ylmethyl)-6,9,12,15,18,21,24,27,30-nonaoxo-10,16-di(propan-2-yl)-1,2-dithia-5,8,11,14,17,20,23,26,29-nonazacyclodotriacontane-4-carboxylic aci
SYSTEMATIC NAME: 31-azanyl-7-[3-[bis(azanyl)methylideneamino]propyl]-25-(hydroxymethyl)-19-[(4-hydroxyphenyl)methyl]-28-(1H-imidazol-5-ylmethyl)-6,9,12,15,18,21,24,27,30-nonakis(oxidanylidene)-10,16-di(propan-2-yl)-1,2-dithia-5,8,11,14,17,20,23,26,29-nonazacyclodotriacont
MOLECULAR FORMULA: C44H67N15O13S2
MOLECULAR WEIGHT: 1078.22548
SMILES: CC(C)C1C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NCC(=O)N1)C(C)C)CC2=CC=C(C=C2)O)CO)CC3=CN=CN3)N)C(=O)O)CCCN=C(N)N
Structure:
CAS RN: 13234-23-6
CAS Name: lithium 2-methyl-2-propenoate
OPENEYE Name: lithium 2-methylprop-2-enoate
IUPAC Name: lithium 2-methylprop-2-enoate
SYSTEMATIC NAME: lithium 2-methylprop-2-enoate
MOLECULAR FORMULA: C4H5LiO2
MOLECULAR WEIGHT: 92.0223
SMILES: [Li+].CC(=C)C(=O)[O-]
Structure:
CAS RN: 25681-06-5
CAS Name: 2-(6-indolo[3,2-b]quinoxalinyl)acetate
OPENEYE Name: 2-indolo[3,2-b]quinoxalin-6-ylacetate
IUPAC Name: 2-indolo[3,2-b]quinoxalin-6-ylacetate
SYSTEMATIC NAME: 2-indolo[3,2-b]quinoxalin-6-ylethanoate
MOLECULAR FORMULA: C16H10N3O2-
MOLECULAR WEIGHT: 276.2695
SMILES: C1=CC=C2C(=C1)C3=NC4=CC=CC=C4N=C3N2CC(=O)[O-]
Structure:
CAS RN: 60882-62-4
CAS Name: N'-(4-chloro-2-nitrophenyl)acetohydrazide
OPENEYE Name: N'-(4-chloro-2-nitro-phenyl)acetohydrazide
IUPAC Name: N'-(4-chloro-2-nitrophenyl)acetohydrazide
SYSTEMATIC NAME: N'-(4-chloranyl-2-nitro-phenyl)ethanehydrazide
MOLECULAR FORMULA: C8H8ClN3O3
MOLECULAR WEIGHT: 229.62042
SMILES: CC(=O)NNC1=C(C=C(C=C1)Cl)[N+](=O)[O-]
Structure:
CAS RN: 7390-56-9
CAS Name: 6-amino-5-methyl-1H-pyrimidine-2-thione
OPENEYE Name: 6-amino-5-methyl-1H-pyrimidine-2-thione
IUPAC Name: 6-amino-5-methyl-1H-pyrimidine-2-thione
SYSTEMATIC NAME: 6-azanyl-5-methyl-1H-pyrimidine-2-thione
MOLECULAR FORMULA: C5H7N3S
MOLECULAR WEIGHT: 141.19418
SMILES: CC1=C(NC(=S)N=C1)N
Structure:
CAS RN: 81282-82-8
CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)benzoate
OPENEYE Name: 4-(3,5-dimethylpyrazol-1-yl)benzoate
IUPAC Name: 4-(3,5-dimethylpyrazol-1-yl)benzoate
SYSTEMATIC NAME: 4-(3,5-dimethylpyrazol-1-yl)benzoate
MOLECULAR FORMULA: C12H11N2O2-
MOLECULAR WEIGHT: 215.22794
SMILES: CC1=CC(=NN1C2=CC=C(C=C2)C(=O)[O-])C
Structure:
CAS RN: 80632-53-7
CAS Name: 2-cyano-2-(1-cyclohexenyl)acetic acid methyl ester
OPENEYE Name: methyl 2-cyano-2-(cyclohexen-1-yl)acetate
IUPAC Name: methyl 2-cyano-2-(cyclohexen-1-yl)acetate
SYSTEMATIC NAME: methyl 2-cyano-2-(cyclohexen-1-yl)ethanoate
MOLECULAR FORMULA: C10H13NO2
MOLECULAR WEIGHT: 179.21572
SMILES: COC(=O)C(C#N)C1=CCCCC1
Structure:
CAS RN: 93155-81-8
CAS Name: 2-(nonylthio)-1H-benzimidazole
OPENEYE Name: 2-nonylsulfanyl-1H-benzimidazole
IUPAC Name: 2-nonylsulfanyl-1H-benzimidazole
SYSTEMATIC NAME: 2-nonylsulfanyl-1H-benzimidazole
MOLECULAR FORMULA: C16H24N2S
MOLECULAR WEIGHT: 276.44016
SMILES: CCCCCCCCCSC1=NC2=CC=CC=C2N1
Structure:
CAS RN: 149082-03-1
CAS Name: (3,5-dimethyl-4-nitro-2-pyridinyl)methanol
OPENEYE Name: (3,5-dimethyl-4-nitro-2-pyridyl)methanol
IUPAC Name: (3,5-dimethyl-4-nitropyridin-2-yl)methanol
SYSTEMATIC NAME: (3,5-dimethyl-4-nitro-pyridin-2-yl)methanol
MOLECULAR FORMULA: C8H10N2O3
MOLECULAR WEIGHT: 182.1766
SMILES: CC1=CN=C(C(=C1[N+](=O)[O-])C)CO
Structure:
CAS RN: 163041-68-7
CAS Name: 2-methoxy-4-(2-oxanyloxy)benzaldehyde
OPENEYE Name: 2-methoxy-4-tetrahydropyran-2-yloxy-benzaldehyde
IUPAC Name: 2-methoxy-4-(oxan-2-yloxy)benzaldehyde
SYSTEMATIC NAME: 2-methoxy-4-(oxan-2-yloxy)benzaldehyde
MOLECULAR FORMULA: C13H16O4
MOLECULAR WEIGHT: 236.26374
SMILES: COC1=C(C=CC(=C1)OC2CCCCO2)C=O
Structure:
CAS RN: 37614-58-7
CAS Name: 3-(4-bromophenyl)-2-propyn-1-ol
OPENEYE Name: 3-(4-bromophenyl)prop-2-yn-1-ol
IUPAC Name: 3-(4-bromophenyl)prop-2-yn-1-ol
SYSTEMATIC NAME: 3-(4-bromophenyl)prop-2-yn-1-ol
MOLECULAR FORMULA: C9H7BrO
MOLECULAR WEIGHT: 211.05528
SMILES: C1=CC(=CC=C1C#CCO)Br
Structure:
CAS RN: 6034-53-3
CAS Name: 4-(4-bromophenyl)-8-chloro-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-ol
OPENEYE Name: 4-(4-bromophenyl)-8-chloro-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-ol
IUPAC Name: 4-(4-bromophenyl)-8-chloro-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-ol
SYSTEMATIC NAME: 4-(4-bromophenyl)-8-chloranyl-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-ol
MOLECULAR FORMULA: C18H14BrClN2O3
MOLECULAR WEIGHT: 421.67236
SMILES: C1C=CC2C1C(NC3=C2C(=C(C=C3O)Cl)[N+](=O)[O-])C4=CC=C(C=C4)Br
Structure:
CAS RN: 330638-42-1
CAS Name: 4-[[[5-(methoxymethyl)-2-furanyl]-oxomethyl]amino]benzoate
OPENEYE Name: 4-[[5-(methoxymethyl)furan-2-carbonyl]amino]benzoate
IUPAC Name: 4-[[5-(methoxymethyl)furan-2-carbonyl]amino]benzoate
SYSTEMATIC NAME: 4-[[5-(methoxymethyl)furan-2-yl]carbonylamino]benzoate
MOLECULAR FORMULA: C14H12NO5-
MOLECULAR WEIGHT: 274.24878
SMILES: COCC1=CC=C(O1)C(=O)NC2=CC=C(C=C2)C(=O)[O-]
Structure:
CAS RN: 67028-40-4
CAS Name: 2-(4-methylphenoxy)acetic acid ethyl ester
OPENEYE Name: ethyl 2-(4-methylphenoxy)acetate
IUPAC Name: ethyl 2-(4-methylphenoxy)acetate
SYSTEMATIC NAME: ethyl 2-(4-methylphenoxy)ethanoate
MOLECULAR FORMULA: C11H14O3
MOLECULAR WEIGHT: 194.22706
SMILES: CCOC(=O)COC1=CC=C(C=C1)C
Structure:
CAS RN: 33401-87-5
CAS Name: 2,3,5,6-tetrahydroxy-4-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-2-oxanyl]oxy]hexanal
OPENEYE Name: 2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-hexanal
IUPAC Name: 2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal
SYSTEMATIC NAME: 4-[6-[[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,3,5,6-tetrakis(oxidanyl)hexanal
MOLECULAR FORMULA: C18H32O16
MOLECULAR WEIGHT: 504.43708
SMILES: C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC(C(CO)O)C(C(C=O)O)O)O)O)O)O)O)O)O
Structure:
CAS RN: 13509-08-5
CAS Name: 5-ethyl-1-hydroxy-2-methyl-4-pyridinimine
OPENEYE Name: 5-ethyl-1-hydroxy-2-methyl-pyridin-4-imine
IUPAC Name: 5-ethyl-1-hydroxy-2-methylpyridin-4-imine
SYSTEMATIC NAME: 5-ethyl-2-methyl-1-oxidanyl-pyridin-4-imine
MOLECULAR FORMULA: C8H12N2O
MOLECULAR WEIGHT: 152.19368
SMILES: CCC1=CN(C(=CC1=N)C)O
Structure:
CAS RN: 61841-39-2
CAS Name: 4-(4-aminophenyl)-2-nitroaniline
OPENEYE Name: 4-(4-aminophenyl)-2-nitro-aniline
IUPAC Name: 4-(4-aminophenyl)-2-nitroaniline
SYSTEMATIC NAME: 4-(4-aminophenyl)-2-nitro-aniline
MOLECULAR FORMULA: C12H11N3O2
MOLECULAR WEIGHT: 229.23464
SMILES: C1=CC(=CC=C1C2=CC(=C(C=C2)N)[N+](=O)[O-])N
Structure:
CAS RN: 84332-53-6
CAS Name: 1-diazonio-6-oxo-6-phenylmethoxy-5-(phenylmethoxycarbonylamino)-1-hexen-2-olate
OPENEYE Name: 6-benzyloxy-5-(benzyloxycarbonylamino)-1-diazonio-6-oxo-hex-1-en-2-olate
IUPAC Name: 1-diazonio-6-oxo-6-phenylmethoxy-5-(phenylmethoxycarbonylamino)hex-1-en-2-olate
SYSTEMATIC NAME: 1-diazonio-6-oxidanylidene-6-phenylmethoxy-5-(phenylmethoxycarbonylamino)hex-1-en-2-olate
MOLECULAR FORMULA: C21H21N3O5
MOLECULAR WEIGHT: 395.40854
SMILES: C1=CC=C(C=C1)COC(=O)C(CCC(=C[N+]#N)[O-])NC(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 7153-63-1
CAS Name: 2,4-bis(sulfanylidene)-1H-pyrimidine-5-carboxylic acid
OPENEYE Name: 2,4-dithioxo-1H-pyrimidine-5-carboxylic acid
IUPAC Name: 2,4-bis(sulfanylidene)-1H-pyrimidine-5-carboxylic acid
SYSTEMATIC NAME: 2,4-bis(sulfanylidene)-1H-pyrimidine-5-carboxylic acid
MOLECULAR FORMULA: C5H4N2O2S2
MOLECULAR WEIGHT: 188.22746
SMILES: C1=C(C(=S)NC(=S)N1)C(=O)O
Structure:
CAS RN: 66256-34-6
CAS Name: 5-(hydroxymethyl)-5-methyl-3-phenyl-2-sulfanylidene-4-imidazolidinone
OPENEYE Name: 5-(hydroxymethyl)-5-methyl-3-phenyl-2-thioxo-imidazolidin-4-one
IUPAC Name: 5-(hydroxymethyl)-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
SYSTEMATIC NAME: 5-(hydroxymethyl)-5-methyl-3-phenyl-2-sulfanylidene-imidazolidin-4-one
MOLECULAR FORMULA: C11H12N2O2S
MOLECULAR WEIGHT: 236.29018
SMILES: CC1(C(=O)N(C(=S)N1)C2=CC=CC=C2)CO
Structure:
CAS RN: 3282-33-5
CAS Name: 1-(4-chlorophenyl)-2-diazonioethenolate
OPENEYE Name: 1-(4-chlorophenyl)-2-diazonio-ethenolate
IUPAC Name: 1-(4-chlorophenyl)-2-diazonioethenolate
SYSTEMATIC NAME: 1-(4-chlorophenyl)-2-diazonio-ethenolate
MOLECULAR FORMULA: C8H5ClN2O
MOLECULAR WEIGHT: 180.5911
SMILES: C1=CC(=CC=C1C(=C[N+]#N)[O-])Cl
Structure:
CAS RN: 66870-09-5
CAS Name: 3-amino-4-methyl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 3-amino-4-methyl-1H-1,2,4-triazole-5-thione
IUPAC Name: 3-amino-4-methyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-azanyl-4-methyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C3H6N4S
MOLECULAR WEIGHT: 130.17154
SMILES: CN1C(=NNC1=S)N
Structure:
CAS RN: 4072-37-1
CAS Name: 9-[3,4-dihydroxy-5-(2-hydroxyethyl)-2-oxolanyl]-3H-purine-6-thione
OPENEYE Name: 9-[3,4-dihydroxy-5-(2-hydroxyethyl)tetrahydrofuran-2-yl]-3H-purine-6-thione
IUPAC Name: 9-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-3H-purine-6-thione
SYSTEMATIC NAME: 9-[5-(2-hydroxyethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purine-6-thione
MOLECULAR FORMULA: C11H14N4O4S
MOLECULAR WEIGHT: 298.31826
SMILES: C1=NC(=S)C2=C(N1)N(C=N2)C3C(C(C(O3)CCO)O)O
Structure:
CAS RN: 61600-69-9
CAS Name: 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiourea
OPENEYE Name: 1-(5-chloro-2,4-dimethoxy-phenyl)-3-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiourea
IUPAC Name: 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiourea
SYSTEMATIC NAME: 1-(5-chloranyl-2,4-dimethoxy-phenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiourea
MOLECULAR FORMULA: C18H18ClN3O2S2
MOLECULAR WEIGHT: 407.93742
SMILES: COC1=CC(=C(C=C1NC(=S)NC2=C(C3=C(S2)CCCC3)C#N)Cl)OC
Structure:
CAS RN: 20780-78-3
CAS Name: 7-iodo-1H-indole-2,3-dione
OPENEYE Name: 7-iodoindoline-2,3-dione
IUPAC Name: 7-iodo-1H-indole-2,3-dione
SYSTEMATIC NAME: 7-iodanyl-1H-indole-2,3-dione
MOLECULAR FORMULA: C8H4INO2
MOLECULAR WEIGHT: 273.02733
SMILES: C1=CC2=C(C(=C1)I)NC(=O)C2=O
Structure:
CAS RN: 27894-33-3
CAS Name: 9-(3,4,5-trihydroxy-6-methyl-2-oxanyl)-3H-purine-6-thione
OPENEYE Name: 9-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)-3H-purine-6-thione
IUPAC Name: 9-(3,4,5-trihydroxy-6-methyloxan-2-yl)-3H-purine-6-thione
SYSTEMATIC NAME: 9-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]-3H-purine-6-thione
MOLECULAR FORMULA: C11H14N4O4S
MOLECULAR WEIGHT: 298.31826
SMILES: CC1C(C(C(C(O1)N2C=NC3=C2NC=NC3=S)O)O)O
Structure:
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