CAS RN: 6295-89-2
CAS Name: 1-phenyl-2-(2,4,6-trinitrophenyl)hydrazine
OPENEYE Name: 1-phenyl-2-(2,4,6-trinitrophenyl)hydrazine
IUPAC Name: 1-phenyl-2-(2,4,6-trinitrophenyl)hydrazine
SYSTEMATIC NAME: 1-phenyl-2-(2,4,6-trinitrophenyl)diazane
MOLECULAR FORMULA: C12H9N5O6
MOLECULAR WEIGHT: 319.22976
SMILES: C1=CC=C(C=C1)NNC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 58554-25-9
CAS Name: 2-methyl-N-[oxo-(1-sulfanylideneethylamino)methyl]benzamide
OPENEYE Name: N-(ethanethioylcarbamoyl)-2-methyl-benzamide
IUPAC Name: N-(ethanethioylcarbamoyl)-2-methylbenzamide
SYSTEMATIC NAME: N-(ethanethioylcarbamoyl)-2-methyl-benzamide
MOLECULAR FORMULA: C11H12N2O2S
MOLECULAR WEIGHT: 236.29018
SMILES: CC1=CC=CC=C1C(=O)NC(=O)NC(=S)C
Structure:
CAS RN: 64510-89-0
CAS Name: 4-[(4-iodophenyl)iminomethyl]benzenecarbothioamide
OPENEYE Name: 4-[(4-iodophenyl)iminomethyl]benzenecarbothioamide
IUPAC Name: 4-[(4-iodophenyl)iminomethyl]benzenecarbothioamide
SYSTEMATIC NAME: 4-[(4-iodophenyl)iminomethyl]benzenecarbothioamide
MOLECULAR FORMULA: C14H11IN2S
MOLECULAR WEIGHT: 366.22001
SMILES: C1=CC(=CC=C1C=NC2=CC=C(C=C2)I)C(=S)N
Structure:
CAS RN: 4858-11-1
CAS Name: 4-[(4-bromophenyl)-hydroxymethylidene]-1-(5-methyl-3-isoxazolyl)-5-(3-prop-2-enoxyphenyl)pyrrolidine-2,3-dione
OPENEYE Name: 5-(3-allyloxyphenyl)-4-[(4-bromophenyl)-hydroxy-methylene]-1-(5-methylisoxazol-3-yl)pyrrolidine-2,3-dione
IUPAC Name: 4-[(4-bromophenyl)-hydroxymethylidene]-1-(5-methyl-1,2-oxazol-3-yl)-5-(3-prop-2-enoxyphenyl)pyrrolidine-2,3-dione
SYSTEMATIC NAME: 4-[(4-bromophenyl)-oxidanyl-methylidene]-1-(5-methyl-1,2-oxazol-3-yl)-5-(3-prop-2-enoxyphenyl)pyrrolidine-2,3-dione
MOLECULAR FORMULA: C24H19BrN2O5
MOLECULAR WEIGHT: 495.32206
SMILES: CC1=CC(=NO1)N2C(C(=C(C3=CC=C(C=C3)Br)O)C(=O)C2=O)C4=CC(=CC=C4)OCC=C
Structure:
CAS RN: 21326-33-0
CAS Name: 5-[(2,6-dichlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carboxaldehyde
OPENEYE Name: 5-[(2,6-dichlorophenyl)methyl]-4-oxo-2-thioxo-1H-pyrimidine-6-carbaldehyde
IUPAC Name: 5-[(2,6-dichlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde
SYSTEMATIC NAME: 5-[[2,6-bis(chloranyl)phenyl]methyl]-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde
MOLECULAR FORMULA: C12H8Cl2N2O2S
MOLECULAR WEIGHT: 315.17512
SMILES: C1=CC(=C(C(=C1)Cl)CC2=C(NC(=S)NC2=O)C=O)Cl
Structure:
CAS RN: 7504-08-7
CAS Name: 9-[3-(ethylthio)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purine-6-thione
OPENEYE Name: 9-[3-ethylsulfanyl-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purine-6-thione
IUPAC Name: 9-[3-ethylsulfanyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione
SYSTEMATIC NAME: 9-[3-ethylsulfanyl-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purine-6-thione
MOLECULAR FORMULA: C12H16N4O3S2
MOLECULAR WEIGHT: 328.41044
SMILES: CCSC1C(C(OC1N2C=NC3=C2NC=NC3=S)CO)O
Structure:
CAS RN: 39039-52-6
CAS Name: 9-[1-(ethylthio)-2,3,4,5,6-pentahydroxyhexyl]-3H-purine-6-thione
OPENEYE Name: 9-(1-ethylsulfanyl-2,3,4,5,6-pentahydroxy-hexyl)-3H-purine-6-thione
IUPAC Name: 9-(1-ethylsulfanyl-2,3,4,5,6-pentahydroxyhexyl)-3H-purine-6-thione
SYSTEMATIC NAME: 9-[1-ethylsulfanyl-2,3,4,5,6-pentakis(oxidanyl)hexyl]-3H-purine-6-thione
MOLECULAR FORMULA: C13H20N4O5S2
MOLECULAR WEIGHT: 376.4517
SMILES: CCSC(C(C(C(C(CO)O)O)O)O)N1C=NC2=C1NC=NC2=S
Structure:
CAS RN: 39039-53-7
CAS Name: 9-[1-(ethylthio)-2,3,4,5,6-pentahydroxyhexyl]-3H-purine-6-thione
OPENEYE Name: 9-(1-ethylsulfanyl-2,3,4,5,6-pentahydroxy-hexyl)-3H-purine-6-thione
IUPAC Name: 9-(1-ethylsulfanyl-2,3,4,5,6-pentahydroxyhexyl)-3H-purine-6-thione
SYSTEMATIC NAME: 9-[1-ethylsulfanyl-2,3,4,5,6-pentakis(oxidanyl)hexyl]-3H-purine-6-thione
MOLECULAR FORMULA: C13H20N4O5S2
MOLECULAR WEIGHT: 376.4517
SMILES: CCSC(C(C(C(C(CO)O)O)O)O)N1C=NC2=C1NC=NC2=S
Structure:
CAS RN: 10197-42-9
CAS Name: N'-(2-hydroxyethyl)ethanedithioamide
OPENEYE Name: N'-(2-hydroxyethyl)ethanedithioamide
IUPAC Name: N'-(2-hydroxyethyl)ethanedithioamide
SYSTEMATIC NAME: N'-(2-hydroxyethyl)ethanedithioamide
MOLECULAR FORMULA: C4H8N2OS2
MOLECULAR WEIGHT: 164.24912
SMILES: C(CO)NC(=S)C(=S)N
Structure:
CAS RN: 42902-01-2
CAS Name: 2-(2-amino-4-ethyl-6-methyl-5-pyrimidinyl)-5-nitrophenol
OPENEYE Name: 2-(2-amino-4-ethyl-6-methyl-pyrimidin-5-yl)-5-nitro-phenol
IUPAC Name: 2-(2-amino-4-ethyl-6-methylpyrimidin-5-yl)-5-nitrophenol
SYSTEMATIC NAME: 2-(2-azanyl-4-ethyl-6-methyl-pyrimidin-5-yl)-5-nitro-phenol
MOLECULAR FORMULA: C13H14N4O3
MOLECULAR WEIGHT: 274.27526
SMILES: CCC1=NC(=NC(=C1C2=C(C=C(C=C2)[N+](=O)[O-])O)C)N
Structure:
CAS RN: 31791-00-1
CAS Name: 7-amino-2,8-dihydro-1H-pyrimido[5,4-e][1,2,4]triazine-5-thione
OPENEYE Name: 7-amino-2,8-dihydro-1H-pyrimido[5,4-e][1,2,4]triazine-5-thione
IUPAC Name: 7-amino-2,8-dihydro-1H-pyrimido[5,4-e][1,2,4]triazine-5-thione
SYSTEMATIC NAME: 7-azanyl-2,8-dihydro-1H-pyrimido[5,4-e][1,2,4]triazine-5-thione
MOLECULAR FORMULA: C5H6N6S
MOLECULAR WEIGHT: 182.20634
SMILES: C1=NC2=C(NC(=NC2=S)N)NN1
Structure:
CAS RN: 1928-79-6
CAS Name: 2,6-bis(1-piperidinyl)-7H-purine
OPENEYE Name: 2,6-bis(1-piperidyl)-7H-purine
IUPAC Name: 2,6-di(piperidin-1-yl)-7H-purine
SYSTEMATIC NAME: 2,6-di(piperidin-1-yl)-7H-purine
MOLECULAR FORMULA: C15H22N6
MOLECULAR WEIGHT: 286.37538
SMILES: C1CCN(CC1)C2=NC(=NC3=C2NC=N3)N4CCCCC4
Structure:
CAS RN: 25726-59-4
CAS Name: 2-phenyl-1-(sulfonatothio)imidazo[1,2-a]pyridin-4-ium
OPENEYE Name: 2-phenyl-1-sulfonatosulfanyl-imidazo[1,2-a]pyridin-4-ium
IUPAC Name: 2-phenyl-1-sulfonatosulfanylimidazo[1,2-a]pyridin-4-ium
SYSTEMATIC NAME: 2-phenyl-1-sulfonatosulfanyl-imidazo[1,2-a]pyridin-4-ium
MOLECULAR FORMULA: C13H10N2O3S2
MOLECULAR WEIGHT: 306.3601
SMILES: C1=CC=C(C=C1)C2=C[N+]3=CC=CC=C3N2SS(=O)(=O)[O-]
Structure:
CAS RN: 16490-16-7
CAS Name: 4-amino-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid
OPENEYE Name: 4-amino-2-thioxo-1H-pyrimidine-6-carboxylic acid
IUPAC Name: 4-amino-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid
SYSTEMATIC NAME: 4-azanyl-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid
MOLECULAR FORMULA: C5H5N3O2S
MOLECULAR WEIGHT: 171.1771
SMILES: C1=C(NC(=S)N=C1N)C(=O)O
Structure:
CAS RN: 56014-96-1
CAS Name: 2-diazonio-1-(2'-spiro[adamantane-2,3'-oxirane]yl)ethenolate
OPENEYE Name: 2-diazonio-1-spiro[adamantane-2,3'-oxirane]-2'-yl-ethenolate
IUPAC Name: 2-diazonio-1-spiro[adamantane-2,3'-oxirane]-2'-ylethenolate
SYSTEMATIC NAME: 2-diazonio-1-spiro[adamantane-2,3'-oxirane]-2'-yl-ethenolate
MOLECULAR FORMULA: C13H16N2O2
MOLECULAR WEIGHT: 232.27834
SMILES: C1C2CC3CC1CC(C2)C34C(O4)C(=C[N+]#N)[O-]
Structure:
CAS RN: 23309-90-2
CAS Name: 9-azido-1,2,3,4-tetrahydroacridine
OPENEYE Name: 9-azido-1,2,3,4-tetrahydroacridine
IUPAC Name: 9-azido-1,2,3,4-tetrahydroacridine
SYSTEMATIC NAME: 9-azido-1,2,3,4-tetrahydroacridine
MOLECULAR FORMULA: C13H12N4
MOLECULAR WEIGHT: 224.26118
SMILES: C1CCC2=NC3=CC=CC=C3C(=C2C1)N=[N+]=[N-]
Structure:
CAS RN: 57381-14-3
CAS Name: N-thiophen-2-ylsulfonylcarbamodithioic acid methyl ester
OPENEYE Name: methyl N-(2-thienylsulfonyl)carbamodithioate
IUPAC Name: methyl N-thiophen-2-ylsulfonylcarbamodithioate
SYSTEMATIC NAME: methyl N-thiophen-2-ylsulfonylcarbamodithioate
MOLECULAR FORMULA: C6H7NO2S4
MOLECULAR WEIGHT: 253.38528
SMILES: CSC(=S)NS(=O)(=O)C1=CC=CS1
Structure:
CAS RN: 14070-02-1
CAS Name: 1-hydroxy-2,6-dimethyl-4-pyridinone oxime
OPENEYE Name: 1-hydroxy-2,6-dimethyl-pyridin-4-one oxime
IUPAC Name: N-(1-hydroxy-2,6-dimethylpyridin-4-ylidene)hydroxylamine
SYSTEMATIC NAME: N-(2,6-dimethyl-1-oxidanyl-pyridin-4-ylidene)hydroxylamine
MOLECULAR FORMULA: C7H10N2O2
MOLECULAR WEIGHT: 154.1665
SMILES: CC1=CC(=NO)C=C(N1O)C
Structure:
CAS RN: 72766-42-8
CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dinitro-1H-benzimidazol-5-amine
OPENEYE Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dinitro-1H-benzimidazol-5-amine
IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dinitro-1H-benzimidazol-5-amine
SYSTEMATIC NAME: N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dinitro-1H-benzimidazol-5-amine
MOLECULAR FORMULA: C17H17N5O6
MOLECULAR WEIGHT: 387.34678
SMILES: COC1=C(C=C(C=C1)CCNC2=C(C=C3C(=C2[N+](=O)[O-])N=CN3)[N+](=O)[O-])OC
Structure:
CAS RN: 61720-68-1
CAS Name: 1-(benzenesulfonyl)-3-[(4-methylphenyl)-sulfanylidenemethyl]urea
OPENEYE Name: 1-(benzenesulfonyl)-3-(4-methylbenzenecarbothioyl)urea
IUPAC Name: 1-(benzenesulfonyl)-3-(4-methylbenzenecarbothioyl)urea
SYSTEMATIC NAME: 1-(4-methylphenyl)carbothioyl-3-(phenylsulfonyl)urea
MOLECULAR FORMULA: C15H14N2O3S2
MOLECULAR WEIGHT: 334.41326
SMILES: CC1=CC=C(C=C1)C(=S)NC(=O)NS(=O)(=O)C2=CC=CC=C2
Structure:
CAS RN: 33371-75-4
CAS Name: 1-cyclohexyl-3-[[5-[[(cyclohexylamino)-sulfanylidenemethyl]hydrazo]-1,5-dioxopentyl]amino]thiourea
OPENEYE Name: 1-cyclohexyl-3-[[5-[2-(cyclohexylcarbamothioyl)hydrazino]-5-oxo-pentanoyl]amino]thiourea
IUPAC Name: 1-cyclohexyl-3-[[5-[2-(cyclohexylcarbamothioyl)hydrazinyl]-5-oxopentanoyl]amino]thiourea
SYSTEMATIC NAME: 1-cyclohexyl-3-[[5-[2-(cyclohexylcarbamothioyl)hydrazinyl]-5-oxidanylidene-pentanoyl]amino]thiourea
MOLECULAR FORMULA: C19H34N6O2S2
MOLECULAR WEIGHT: 442.64226
SMILES: C1CCC(CC1)NC(=S)NNC(=O)CCCC(=O)NNC(=S)NC2CCCCC2
Structure:
CAS RN: 68967-47-5
CAS Name: 5-acetamido-4-[[[[oxo(thiophen-2-yl)methyl]amino]-sulfanylidenemethyl]amino]-2-furancarboxylic acid ethyl ester
OPENEYE Name: ethyl 5-acetamido-4-(thiophene-2-carbonylcarbamothioylamino)furan-2-carboxylate
IUPAC Name: ethyl 5-acetamido-4-(thiophene-2-carbonylcarbamothioylamino)furan-2-carboxylate
SYSTEMATIC NAME: ethyl 5-acetamido-4-(thiophen-2-ylcarbonylcarbamothioylamino)furan-2-carboxylate
MOLECULAR FORMULA: C15H15N3O5S2
MOLECULAR WEIGHT: 381.4267
SMILES: CCOC(=O)C1=CC(=C(O1)NC(=O)C)NC(=S)NC(=O)C2=CC=CS2
Structure:
CAS RN: 91587-77-8
CAS Name: 6-amino-5-(3-chlorophenyl)-1H-pyrimidine-2-thione
OPENEYE Name: 6-amino-5-(3-chlorophenyl)-1H-pyrimidine-2-thione
IUPAC Name: 6-amino-5-(3-chlorophenyl)-1H-pyrimidine-2-thione
SYSTEMATIC NAME: 6-azanyl-5-(3-chlorophenyl)-1H-pyrimidine-2-thione
MOLECULAR FORMULA: C10H8ClN3S
MOLECULAR WEIGHT: 237.70862
SMILES: C1=CC(=CC(=C1)Cl)C2=C(NC(=S)N=C2)N
Structure:
CAS RN: 87978-04-9
CAS Name: 5-[(2-ethoxy-2-oxoethyl)amino]-2-sulfanylidene-3H-thiazole-4-carboxylic acid ethyl ester
OPENEYE Name: ethyl 5-[(2-ethoxy-2-oxo-ethyl)amino]-2-thioxo-3H-thiazole-4-carboxylate
IUPAC Name: ethyl 5-[(2-ethoxy-2-oxoethyl)amino]-2-sulfanylidene-3H-1,3-thiazole-4-carboxylate
SYSTEMATIC NAME: ethyl 5-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-2-sulfanylidene-3H-1,3-thiazole-4-carboxylate
MOLECULAR FORMULA: C10H14N2O4S2
MOLECULAR WEIGHT: 290.35916
SMILES: CCOC(=O)CNC1=C(NC(=S)S1)C(=O)OCC
Structure:
CAS RN: 22074-87-9
CAS Name: N-(2-nitrophenyl)carbamothioic acid O-ethyl ester
OPENEYE Name: O-ethyl N-(2-nitrophenyl)carbamothioate
IUPAC Name: O-ethyl N-(2-nitrophenyl)carbamothioate
SYSTEMATIC NAME: O-ethyl N-(2-nitrophenyl)carbamothioate
MOLECULAR FORMULA: C9H10N2O3S
MOLECULAR WEIGHT: 226.2523
SMILES: CCOC(=S)NC1=CC=CC=C1[N+](=O)[O-]
Structure:
CAS RN: 67693-47-4
CAS Name: 3,4,5-triacetyloxy-6-(6-sulfanylidene-3H-purin-9-yl)-2-oxanecarboxylic acid methyl ester
OPENEYE Name: methyl 3,4,5-triacetoxy-6-(6-thioxo-3H-purin-9-yl)tetrahydropyran-2-carboxylate
IUPAC Name: methyl 3,4,5-triacetyloxy-6-(6-sulfanylidene-3H-purin-9-yl)oxane-2-carboxylate
SYSTEMATIC NAME: methyl 3,4,5-triacetyloxy-6-(6-sulfanylidene-3H-purin-9-yl)oxane-2-carboxylate
MOLECULAR FORMULA: C18H20N4O9S
MOLECULAR WEIGHT: 468.4378
SMILES: CC(=O)OC1C(C(OC(C1OC(=O)C)N2C=NC3=C2NC=NC3=S)C(=O)OC)OC(=O)C
Structure:
CAS RN: 61720-63-6
CAS Name: 1-[(4-bromophenyl)-sulfanylidenemethyl]-3-methylsulfonylurea
OPENEYE Name: 1-(4-bromobenzenecarbothioyl)-3-methylsulfonyl-urea
IUPAC Name: 1-(4-bromobenzenecarbothioyl)-3-methylsulfonylurea
SYSTEMATIC NAME: 1-(4-bromophenyl)carbothioyl-3-methylsulfonyl-urea
MOLECULAR FORMULA: C9H9BrN2O3S2
MOLECULAR WEIGHT: 337.21336
SMILES: CS(=O)(=O)NC(=O)NC(=S)C1=CC=C(C=C1)Br
Structure:
CAS RN: 835617-36-2
CAS Name: 2,4,6-trimethylbenzenesulfonate
OPENEYE Name: 2,4,6-trimethylbenzenesulfonate
IUPAC Name: 2,4,6-trimethylbenzenesulfonate
SYSTEMATIC NAME: 2,4,6-trimethylbenzenesulfonate
MOLECULAR FORMULA: C9H11O3S-
MOLECULAR WEIGHT: 199.24684
SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C
Structure:
CAS RN: 56768-57-1
CAS Name: 4-(1-naphthalenylsulfamoyl)benzenecarbothioamide
OPENEYE Name: 4-(1-naphthylsulfamoyl)benzenecarbothioamide
IUPAC Name: 4-(naphthalen-1-ylsulfamoyl)benzenecarbothioamide
SYSTEMATIC NAME: 4-(naphthalen-1-ylsulfamoyl)benzenecarbothioamide
MOLECULAR FORMULA: C17H14N2O2S2
MOLECULAR WEIGHT: 342.43526
SMILES: C1=CC=C2C(=C1)C=CC=C2NS(=O)(=O)C3=CC=C(C=C3)C(=S)N
Structure:
CAS RN: 91483-73-7
CAS Name: 2-[dodecyl-methyl-(phenylmethyl)ammonio]ethanesulfonate
OPENEYE Name: 2-(benzyl-dodecyl-methyl-ammonio)ethanesulfonate
IUPAC Name: 2-(benzyl-dodecyl-methylazaniumyl)ethanesulfonate
SYSTEMATIC NAME: 2-[dodecyl-methyl-(phenylmethyl)azaniumyl]ethanesulfonate
MOLECULAR FORMULA: C22H39NO3S
MOLECULAR WEIGHT: 397.61496
SMILES: CCCCCCCCCCCC[N+](C)(CCS(=O)(=O)[O-])CC1=CC=CC=C1
Structure:
CAS RN: 467430-50-8
CAS Name: 1-carbamoyl-4-piperidinecarboxylic acid
OPENEYE Name: 1-carbamoylpiperidine-4-carboxylic acid
IUPAC Name: 1-carbamoylpiperidine-4-carboxylic acid
SYSTEMATIC NAME: 1-aminocarbonylpiperidine-4-carboxylic acid
MOLECULAR FORMULA: C7H12N2O3
MOLECULAR WEIGHT: 172.18178
SMILES: C1CN(CCC1C(=O)O)C(=O)N
Structure:
CAS RN: 35801-73-1
CAS Name: 5-(4-methoxyphenyl)-3H-oxazole-2-thione
OPENEYE Name: 5-(4-methoxyphenyl)-3H-oxazole-2-thione
IUPAC Name: 5-(4-methoxyphenyl)-3H-1,3-oxazole-2-thione
SYSTEMATIC NAME: 5-(4-methoxyphenyl)-3H-1,3-oxazole-2-thione
MOLECULAR FORMULA: C10H9NO2S
MOLECULAR WEIGHT: 207.24896
SMILES: COC1=CC=C(C=C1)C2=CNC(=S)O2
Structure:
CAS RN: 59623-12-0
CAS Name: 1-(3-chloropropyl)-4-methoxybenzene
OPENEYE Name: 1-(3-chloropropyl)-4-methoxy-benzene
IUPAC Name: 1-(3-chloropropyl)-4-methoxybenzene
SYSTEMATIC NAME: 1-(3-chloranylpropyl)-4-methoxy-benzene
MOLECULAR FORMULA: C10H13ClO
MOLECULAR WEIGHT: 184.66262
SMILES: COC1=CC=C(C=C1)CCCCl
Structure:
No comments:
Post a Comment