CAS RN: 19165-25-4
CAS Name: 6-bromo-2-methyl-3,1-benzoxazin-4-one
OPENEYE Name: 6-bromo-2-methyl-3,1-benzoxazin-4-one
IUPAC Name: 6-bromo-2-methyl-3,1-benzoxazin-4-one
SYSTEMATIC NAME: 6-bromanyl-2-methyl-3,1-benzoxazin-4-one
MOLECULAR FORMULA: C9H6BrNO2
MOLECULAR WEIGHT: 240.05344
SMILES: CC1=NC2=C(C=C(C=C2)Br)C(=O)O1
Structure:
CAS RN: 930-96-1
CAS Name: 3-bromo-2-thiophenecarboxaldehyde
OPENEYE Name: 3-bromothiophene-2-carbaldehyde
IUPAC Name: 3-bromothiophene-2-carbaldehyde
SYSTEMATIC NAME: 3-bromanylthiophene-2-carbaldehyde
MOLECULAR FORMULA: C5H3BrOS
MOLECULAR WEIGHT: 191.04572
SMILES: C1=CSC(=C1Br)C=O
Structure:
CAS RN: 54949-15-4
CAS Name: 4,6-dichloro-2H-1-benzothiopyran-3-carboxaldehyde
OPENEYE Name: 4,6-dichloro-2H-thiochromene-3-carbaldehyde
IUPAC Name: 4,6-dichloro-2H-thiochromene-3-carbaldehyde
SYSTEMATIC NAME: 4,6-bis(chloranyl)-2H-thiochromene-3-carbaldehyde
MOLECULAR FORMULA: C10H6Cl2OS
MOLECULAR WEIGHT: 245.12504
SMILES: C1C(=C(C2=C(S1)C=CC(=C2)Cl)Cl)C=O
Structure:
CAS RN: 6326-22-3
CAS Name: 5-[(3,4-dichlorophenyl)methylidene]-2-sulfanylidene-4-thiazolidinone
OPENEYE Name: 5-[(3,4-dichlorophenyl)methylene]-2-thioxo-thiazolidin-4-one
IUPAC Name: 5-[(3,4-dichlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 5-[(3,4-dichlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C10H5Cl2NOS2
MOLECULAR WEIGHT: 290.1888
SMILES: C1=CC(=C(C=C1C=C2C(=O)NC(=S)S2)Cl)Cl
Structure:
CAS RN: 6318-35-0
CAS Name: 5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-sulfanylidene-4-thiazolidinone
OPENEYE Name: 5-[(5-bromo-2-hydroxy-phenyl)methylene]-2-thioxo-thiazolidin-4-one
IUPAC Name: 5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 5-[(5-bromanyl-2-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C10H6BrNO2S2
MOLECULAR WEIGHT: 316.19414
SMILES: C1=CC(=C(C=C1Br)C=C2C(=O)NC(=S)S2)O
Structure:
CAS RN: 6319-47-7
CAS Name: 2-sulfanylidene-5-(thiophen-2-ylmethylidene)-4-thiazolidinone
OPENEYE Name: 5-(2-thienylmethylene)-2-thioxo-thiazolidin-4-one
IUPAC Name: 2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C8H5NOS3
MOLECULAR WEIGHT: 227.3264
SMILES: C1=CSC(=C1)C=C2C(=O)NC(=S)S2
Structure:
CAS RN: 6339-79-3
CAS Name: 5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-4-thiazolidinone
OPENEYE Name: 5-[(4-hydroxyphenyl)methylene]-2-thioxo-thiazolidin-4-one
IUPAC Name: 5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C10H7NO2S2
MOLECULAR WEIGHT: 237.29808
SMILES: C1=CC(=CC=C1C=C2C(=O)NC(=S)S2)O
Structure:
CAS RN: 6301-12-8
CAS Name: 5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-4-thiazolidinone
OPENEYE Name: 5-[(3-nitrophenyl)methylene]-2-thioxo-thiazolidin-4-one
IUPAC Name: 5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C10H6N2O3S2
MOLECULAR WEIGHT: 266.29624
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C=C2C(=O)NC(=S)S2
Structure:
CAS RN: 30650-90-9
CAS Name: 3-methyl-4-nitrobenzoic acid ethyl ester
OPENEYE Name: ethyl 3-methyl-4-nitro-benzoate
IUPAC Name: ethyl 3-methyl-4-nitrobenzoate
SYSTEMATIC NAME: ethyl 3-methyl-4-nitro-benzoate
MOLECULAR FORMULA: C10H11NO4
MOLECULAR WEIGHT: 209.19864
SMILES: CCOC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])C
Structure:
CAS RN: 49581-16-0
CAS Name: 2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-4-thiazolidinone
OPENEYE Name: 2-thioxo-5-[(3,4,5-trimethoxyphenyl)methylene]thiazolidin-4-one
IUPAC Name: 2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C13H13NO4S2
MOLECULAR WEIGHT: 311.37662
SMILES: COC1=CC(=CC(=C1OC)OC)C=C2C(=O)NC(=S)S2
Structure:
CAS RN: 59834-05-8
CAS Name: 4-(4-thiadiazolyl)phenol
OPENEYE Name: 4-(thiadiazol-4-yl)phenol
IUPAC Name: 4-(thiadiazol-4-yl)phenol
SYSTEMATIC NAME: 4-(1,2,3-thiadiazol-4-yl)phenol
MOLECULAR FORMULA: C8H6N2OS
MOLECULAR WEIGHT: 178.21104
SMILES: C1=CC(=CC=C1C2=CSN=N2)O
Structure:
CAS RN: 21629-50-5
CAS Name: 5-chloro-2,8-dimethyl-1H-quinolin-4-one
OPENEYE Name: 5-chloro-2,8-dimethyl-1H-quinolin-4-one
IUPAC Name: 5-chloro-2,8-dimethyl-1H-quinolin-4-one
SYSTEMATIC NAME: 5-chloranyl-2,8-dimethyl-1H-quinolin-4-one
MOLECULAR FORMULA: C11H10ClNO
MOLECULAR WEIGHT: 207.6562
SMILES: CC1=C2C(=C(C=C1)Cl)C(=O)C=C(N2)C
Structure:
CAS RN: 22601-06-5
CAS Name: 3-methyl-2-furancarbonyl chloride
OPENEYE Name: 3-methylfuran-2-carbonyl chloride
IUPAC Name: 3-methylfuran-2-carbonyl chloride
SYSTEMATIC NAME: 3-methylfuran-2-carbonyl chloride
MOLECULAR FORMULA: C6H5ClO2
MOLECULAR WEIGHT: 144.5557
SMILES: CC1=C(OC=C1)C(=O)Cl
Structure:
CAS RN: 1452-94-4
CAS Name: 2-chloro-3-pyridinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-chloropyridine-3-carboxylate
IUPAC Name: ethyl 2-chloropyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 2-chloranylpyridine-3-carboxylate
MOLECULAR FORMULA: C8H8ClNO2
MOLECULAR WEIGHT: 185.60762
SMILES: CCOC(=O)C1=C(N=CC=C1)Cl
Structure:
CAS RN: 65330-63-4
CAS Name: 3-(4-hydroxyphenyl)propanehydrazide
OPENEYE Name: 3-(4-hydroxyphenyl)propanehydrazide
IUPAC Name: 3-(4-hydroxyphenyl)propanehydrazide
SYSTEMATIC NAME: 3-(4-hydroxyphenyl)propanehydrazide
MOLECULAR FORMULA: C9H12N2O2
MOLECULAR WEIGHT: 180.20378
SMILES: C1=CC(=CC=C1CCC(=O)NN)O
Structure:
CAS RN: 4737-74-0
CAS Name: 1-(2-chlorophenyl)-3-(3,4-dimethoxyphenyl)thiourea
OPENEYE Name: 1-(2-chlorophenyl)-3-(3,4-dimethoxyphenyl)thiourea
IUPAC Name: 1-(2-chlorophenyl)-3-(3,4-dimethoxyphenyl)thiourea
SYSTEMATIC NAME: 1-(2-chlorophenyl)-3-(3,4-dimethoxyphenyl)thiourea
MOLECULAR FORMULA: C15H15ClN2O2S
MOLECULAR WEIGHT: 322.8098
SMILES: COC1=C(C=C(C=C1)NC(=S)NC2=CC=CC=C2Cl)OC
Structure:
CAS RN: 3929-07-5
CAS Name: 4-morpholinyl-(5-nitro-2-furanyl)methanone
OPENEYE Name: morpholino-(5-nitro-2-furyl)methanone
IUPAC Name: morpholin-4-yl-(5-nitrofuran-2-yl)methanone
SYSTEMATIC NAME: morpholin-4-yl-(5-nitrofuran-2-yl)methanone
MOLECULAR FORMULA: C9H10N2O5
MOLECULAR WEIGHT: 226.1861
SMILES: C1COCCN1C(=O)C2=CC=C(O2)[N+](=O)[O-]
Structure:
CAS RN: 69342-47-8
CAS Name: 1-butyl-4-isocyanatobenzene
OPENEYE Name: 1-butyl-4-isocyanato-benzene
IUPAC Name: 1-butyl-4-isocyanatobenzene
SYSTEMATIC NAME: 1-butyl-4-isocyanato-benzene
MOLECULAR FORMULA: C11H13NO
MOLECULAR WEIGHT: 175.22702
SMILES: CCCCC1=CC=C(C=C1)N=C=O
Structure:
CAS RN: 51368-55-9
CAS Name: 2-bromo-2-methylpropanoic acid propan-2-yl ester
OPENEYE Name: isopropyl 2-bromo-2-methyl-propanoate
IUPAC Name: propan-2-yl 2-bromo-2-methylpropanoate
SYSTEMATIC NAME: propan-2-yl 2-bromanyl-2-methyl-propanoate
MOLECULAR FORMULA: C7H13BrO2
MOLECULAR WEIGHT: 209.08092
SMILES: CC(C)OC(=O)C(C)(C)Br
Structure:
CAS RN: 6590-97-2
CAS Name: 1,2-dichloro-3-isothiocyanatobenzene
OPENEYE Name: 1,2-dichloro-3-isothiocyanato-benzene
IUPAC Name: 1,2-dichloro-3-isothiocyanatobenzene
SYSTEMATIC NAME: 1,2-bis(chloranyl)-3-isothiocyanato-benzene
MOLECULAR FORMULA: C7H3Cl2NS
MOLECULAR WEIGHT: 204.07642
SMILES: C1=CC(=C(C(=C1)Cl)Cl)N=C=S
Structure:
CAS RN: 4534-11-6
CAS Name: 3-methyl-4-propan-2-ylaniline
OPENEYE Name: 4-isopropyl-3-methyl-aniline
IUPAC Name: 3-methyl-4-propan-2-ylaniline
SYSTEMATIC NAME: 3-methyl-4-propan-2-yl-aniline
MOLECULAR FORMULA: C10H15N
MOLECULAR WEIGHT: 149.2328
SMILES: CC1=C(C=CC(=C1)N)C(C)C
Structure:
CAS RN: 4534-11-6
CAS Name: 3-methyl-4-propan-2-ylaniline hydrochloride
OPENEYE Name: 4-isopropyl-3-methyl-aniline hydrochloride
IUPAC Name: 3-methyl-4-propan-2-ylaniline hydrochloride
SYSTEMATIC NAME: 3-methyl-4-propan-2-yl-aniline hydrochloride
MOLECULAR FORMULA: C10H16ClN
MOLECULAR WEIGHT: 185.69374
SMILES: CC1=C(C=CC(=C1)N)C(C)C.Cl
Structure:
CAS RN: 19241-19-1
CAS Name: 1-ethyl-2-isothiocyanatobenzene
OPENEYE Name: 1-ethyl-2-isothiocyanato-benzene
IUPAC Name: 1-ethyl-2-isothiocyanatobenzene
SYSTEMATIC NAME: 1-ethyl-2-isothiocyanato-benzene
MOLECULAR FORMULA: C9H9NS
MOLECULAR WEIGHT: 163.23946
SMILES: CCC1=CC=CC=C1N=C=S
Structure:
CAS RN: 651293-35-5
CAS Name: 2-[[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-oxomethyl]benzoic acid
OPENEYE Name: 2-(4-tert-butoxycarbonylpiperazine-1-carbonyl)benzoic acid
IUPAC Name: 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]benzoic acid
SYSTEMATIC NAME: 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]carbonylbenzoic acid
MOLECULAR FORMULA: C17H22N2O5
MOLECULAR WEIGHT: 334.36698
SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2C(=O)O
Structure:
CAS RN: 123333-53-9
CAS Name: 1-hydroxybenzotriazole hydrate
OPENEYE Name: 1-hydroxybenzotriazole hydrate
IUPAC Name: 1-hydroxybenzotriazole hydrate
SYSTEMATIC NAME: 1-oxidanylbenzotriazole hydrate
MOLECULAR FORMULA: C6H7N3O2
MOLECULAR WEIGHT: 153.13868
SMILES: C1=CC=C2C(=C1)N=NN2O.O
Structure:
CAS RN: 68252-72-2
CAS Name: N-(2-chloro-4-sulfamoylphenyl)acetamide
OPENEYE Name: N-(2-chloro-4-sulfamoyl-phenyl)acetamide
IUPAC Name: N-(2-chloro-4-sulfamoylphenyl)acetamide
SYSTEMATIC NAME: N-(2-chloranyl-4-sulfamoyl-phenyl)ethanamide
MOLECULAR FORMULA: C8H9ClN2O3S
MOLECULAR WEIGHT: 248.68666
SMILES: CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N)Cl
Structure:
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