CAS RN: 680213-23-4
CAS Name: 2,4,7,8-tetrachloro-3-phenylquinoline
OPENEYE Name: 2,4,7,8-tetrachloro-3-phenyl-quinoline
IUPAC Name: 2,4,7,8-tetrachloro-3-phenylquinoline
SYSTEMATIC NAME: 2,4,7,8-tetrakis(chloranyl)-3-phenyl-quinoline
MOLECULAR FORMULA: C15H7Cl4N
MOLECULAR WEIGHT: 343.03478
SMILES: C1=CC=C(C=C1)C2=C(C3=C(C(=C(C=C3)Cl)Cl)N=C2Cl)Cl
Structure:
CAS RN: 154471-65-5
CAS Name: 1-methyl-3-(trifluoromethyl)pyrazole
OPENEYE Name: 1-methyl-3-(trifluoromethyl)pyrazole
IUPAC Name: 1-methyl-3-(trifluoromethyl)pyrazole
SYSTEMATIC NAME: 1-methyl-3-(trifluoromethyl)pyrazole
MOLECULAR FORMULA: C5H5F3N2
MOLECULAR WEIGHT: 150.10181
SMILES: CN1C=CC(=N1)C(F)(F)F
Structure:
CAS RN: 187035-79-6
CAS Name: 2-chloro-4-(trifluoromethyl)-5-pyrimidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate
IUPAC Name: ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate
SYSTEMATIC NAME: ethyl 2-chloranyl-4-(trifluoromethyl)pyrimidine-5-carboxylate
MOLECULAR FORMULA: C8H6ClF3N2O2
MOLECULAR WEIGHT: 254.59365
SMILES: CCOC(=O)C1=CN=C(N=C1C(F)(F)F)Cl
Structure:
CAS RN: 648859-81-8
CAS Name: 5-chloro-7-(trifluoromethyl)-3-thieno[3,2-b]pyridinecarboxylic acid methyl ester
OPENEYE Name: methyl 5-chloro-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate
IUPAC Name: methyl 5-chloro-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate
SYSTEMATIC NAME: methyl 5-chloranyl-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate
MOLECULAR FORMULA: C10H5ClF3NO2S
MOLECULAR WEIGHT: 295.66541
SMILES: COC(=O)C1=CSC2=C1N=C(C=C2C(F)(F)F)Cl
Structure:
CAS RN: 112055-34-2
CAS Name: 1-phenyl-5-(trifluoromethyl)-4-pyrazolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylate
IUPAC Name: ethyl 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylate
SYSTEMATIC NAME: ethyl 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylate
MOLECULAR FORMULA: C13H11F3N2O2
MOLECULAR WEIGHT: 284.23385
SMILES: CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)C(F)(F)F
Structure:
CAS RN: 91813-63-7
CAS Name: 4-prop-2-enyl-3-(2-pyridinyl)-1H-1,2,4-triazole-5-thione
OPENEYE Name: 4-allyl-3-(2-pyridyl)-1H-1,2,4-triazole-5-thione
IUPAC Name: 4-prop-2-enyl-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-prop-2-enyl-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C10H10N4S
MOLECULAR WEIGHT: 218.2782
SMILES: C=CCN1C(=NNC1=S)C2=CC=CC=N2
Structure:
CAS RN: 131728-94-4
CAS Name: 8-(chloromethyl)-6-fluoro-4H-1,3-benzodioxin
OPENEYE Name: 8-(chloromethyl)-6-fluoro-4H-1,3-benzodioxine
IUPAC Name: 8-(chloromethyl)-6-fluoro-4H-1,3-benzodioxine
SYSTEMATIC NAME: 8-(chloromethyl)-6-fluoranyl-4H-1,3-benzodioxine
MOLECULAR FORMULA: C9H8ClFO2
MOLECULAR WEIGHT: 202.610023
SMILES: C1C2=CC(=CC(=C2OCO1)CCl)F
Structure:
CAS RN: 18698-96-9
CAS Name: 2-(2-iodophenyl)acetic acid
OPENEYE Name: 2-(2-iodophenyl)acetic acid
IUPAC Name: 2-(2-iodophenyl)acetic acid
SYSTEMATIC NAME: 2-(2-iodanylphenyl)ethanoic acid
MOLECULAR FORMULA: C8H7IO2
MOLECULAR WEIGHT: 262.04445
SMILES: C1=CC=C(C(=C1)CC(=O)O)I
Structure:
CAS RN: 15867-07-9
CAS Name: 1-naphthalenylcarbamodithioic acid
OPENEYE Name: 1-naphthylcarbamodithioic acid
IUPAC Name: naphthalen-1-ylcarbamodithioic acid
SYSTEMATIC NAME: naphthalen-1-ylcarbamodithioic acid
MOLECULAR FORMULA: C11H9NS2
MOLECULAR WEIGHT: 219.32586
SMILES: C1=CC=C2C(=C1)C=CC=C2NC(=S)S
Structure:
CAS RN: 2489-77-2
CAS Name: 1,1,3-trimethylthiourea
OPENEYE Name: 1,1,3-trimethylthiourea
IUPAC Name: 1,1,3-trimethylthiourea
SYSTEMATIC NAME: 1,1,3-trimethylthiourea
MOLECULAR FORMULA: C4H10N2S
MOLECULAR WEIGHT: 118.2006
SMILES: CNC(=S)N(C)C
Structure:
CAS RN: 306934-87-2
CAS Name: 6-fluoro-4H-1,3-benzodioxin-8-carboxaldehyde
OPENEYE Name: 6-fluoro-4H-1,3-benzodioxine-8-carbaldehyde
IUPAC Name: 6-fluoro-4H-1,3-benzodioxine-8-carbaldehyde
SYSTEMATIC NAME: 6-fluoranyl-4H-1,3-benzodioxine-8-carbaldehyde
MOLECULAR FORMULA: C9H7FO3
MOLECULAR WEIGHT: 182.148483
SMILES: C1C2=C(C(=CC(=C2)F)C=O)OCO1
Structure:
CAS RN: 321309-28-8
CAS Name: 6-fluoro-4H-1,3-benzodioxin-8-carboxylic acid
OPENEYE Name: 6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid
IUPAC Name: 6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid
SYSTEMATIC NAME: 6-fluoranyl-4H-1,3-benzodioxine-8-carboxylic acid
MOLECULAR FORMULA: C9H7FO4
MOLECULAR WEIGHT: 198.147883
SMILES: C1C2=C(C(=CC(=C2)F)C(=O)O)OCO1
Structure:
CAS RN: 72666-55-8
CAS Name: 2-(2-isoquinolin-2-iumyl)-1-(4-phenylphenyl)ethanone bromide
OPENEYE Name: 2-isoquinolin-2-ium-2-yl-1-(4-phenylphenyl)ethanone bromide
IUPAC Name: 2-isoquinolin-2-ium-2-yl-1-(4-phenylphenyl)ethanone bromide
SYSTEMATIC NAME: 2-isoquinolin-2-ium-2-yl-1-(4-phenylphenyl)ethanone bromide
MOLECULAR FORMULA: C23H18BrNO
MOLECULAR WEIGHT: 404.29912
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C[N+]3=CC4=CC=CC=C4C=C3.[Br-]
Structure:
CAS RN: 1964-45-0
CAS Name: 3,5-dimethyl-1-benzothiophene
OPENEYE Name: 3,5-dimethylbenzothiophene
IUPAC Name: 3,5-dimethyl-1-benzothiophene
SYSTEMATIC NAME: 3,5-dimethyl-1-benzothiophene
MOLECULAR FORMULA: C10H10S
MOLECULAR WEIGHT: 162.2514
SMILES: CC1=CC2=C(C=C1)SC=C2C
Structure:
CAS RN: 1200-13-1
CAS Name: 1-[(4-methylphenyl)thio]-2-propanone
OPENEYE Name: 1-(p-tolylsulfanyl)propan-2-one
IUPAC Name: 1-(4-methylphenyl)sulfanylpropan-2-one
SYSTEMATIC NAME: 1-(4-methylphenyl)sulfanylpropan-2-one
MOLECULAR FORMULA: C10H12OS
MOLECULAR WEIGHT: 180.26668
SMILES: CC1=CC=C(C=C1)SCC(=O)C
Structure:
CAS RN: 175203-97-1
CAS Name: 2-bromo-1-(5-chloro-3-methyl-1-benzothiophen-2-yl)ethanone
OPENEYE Name: 2-bromo-1-(5-chloro-3-methyl-benzothiophen-2-yl)ethanone
IUPAC Name: 2-bromo-1-(5-chloro-3-methyl-1-benzothiophen-2-yl)ethanone
SYSTEMATIC NAME: 2-bromanyl-1-(5-chloranyl-3-methyl-1-benzothiophen-2-yl)ethanone
MOLECULAR FORMULA: C11H8BrClOS
MOLECULAR WEIGHT: 303.60262
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C(=O)CBr
Structure:
CAS RN: 118337-33-0
CAS Name: 2-bromo-1-(3-methyl-1-benzothiophen-2-yl)ethanone
OPENEYE Name: 2-bromo-1-(3-methylbenzothiophen-2-yl)ethanone
IUPAC Name: 2-bromo-1-(3-methyl-1-benzothiophen-2-yl)ethanone
SYSTEMATIC NAME: 2-bromanyl-1-(3-methyl-1-benzothiophen-2-yl)ethanone
MOLECULAR FORMULA: C11H9BrOS
MOLECULAR WEIGHT: 269.15756
SMILES: CC1=C(SC2=CC=CC=C12)C(=O)CBr
Structure:
CAS RN: 108682-54-8
CAS Name: 2-dipentoxyphosphoryloxy-3,3,3-trifluoropropanoic acid methyl ester
OPENEYE Name: methyl 2-dipentoxyphosphoryloxy-3,3,3-trifluoro-propanoate
IUPAC Name: methyl 2-dipentoxyphosphoryloxy-3,3,3-trifluoropropanoate
SYSTEMATIC NAME: methyl 2-dipentoxyphosphoryloxy-3,3,3-tris(fluoranyl)propanoate
MOLECULAR FORMULA: C14H26F3O6P
MOLECULAR WEIGHT: 378.321611
SMILES: CCCCCOP(=O)(OCCCCC)OC(C(=O)OC)C(F)(F)F
Structure:
CAS RN: 23799-60-2
CAS Name: 2-(5-chloro-1-benzothiophen-3-yl)acetonitrile
OPENEYE Name: 2-(5-chlorobenzothiophen-3-yl)acetonitrile
IUPAC Name: 2-(5-chloro-1-benzothiophen-3-yl)acetonitrile
SYSTEMATIC NAME: 2-(5-chloranyl-1-benzothiophen-3-yl)ethanenitrile
MOLECULAR FORMULA: C10H6ClNS
MOLECULAR WEIGHT: 207.67934
SMILES: C1=CC2=C(C=C1Cl)C(=CS2)CC#N
Structure:
CAS RN: 1198-51-2
CAS Name: 3-(bromomethyl)-5-chloro-1-benzothiophene
OPENEYE Name: 3-(bromomethyl)-5-chloro-benzothiophene
IUPAC Name: 3-(bromomethyl)-5-chloro-1-benzothiophene
SYSTEMATIC NAME: 3-(bromomethyl)-5-chloranyl-1-benzothiophene
MOLECULAR FORMULA: C9H6BrClS
MOLECULAR WEIGHT: 261.56594
SMILES: C1=CC2=C(C=C1Cl)C(=CS2)CBr
Structure:
CAS RN: 5775-88-2
CAS Name: 4-bromo-2,5-dimethyl-3-pyrazolecarboxylic acid
OPENEYE Name: 4-bromo-2,5-dimethyl-pyrazole-3-carboxylic acid
IUPAC Name: 4-bromo-2,5-dimethylpyrazole-3-carboxylic acid
SYSTEMATIC NAME: 4-bromanyl-2,5-dimethyl-pyrazole-3-carboxylic acid
MOLECULAR FORMULA: C6H7BrN2O2
MOLECULAR WEIGHT: 219.03598
SMILES: CC1=NN(C(=C1Br)C(=O)O)C
Structure:
CAS RN: 25842-32-4
CAS Name: 2-[4-(phenylmethyl)-1-piperidinyl]ethanamine
OPENEYE Name: 2-(4-benzyl-1-piperidyl)ethanamine
IUPAC Name: 2-(4-benzylpiperidin-1-yl)ethanamine
SYSTEMATIC NAME: 2-[4-(phenylmethyl)piperidin-1-yl]ethanamine
MOLECULAR FORMULA: C14H22N2
MOLECULAR WEIGHT: 218.33788
SMILES: C1CN(CCC1CC2=CC=CC=C2)CCN
Structure:
CAS RN: 465514-07-2
CAS Name: 3-(2-methyl-4-pyrimidinyl)benzenesulfonyl chloride
OPENEYE Name: 3-(2-methylpyrimidin-4-yl)benzenesulfonyl chloride
IUPAC Name: 3-(2-methylpyrimidin-4-yl)benzenesulfonyl chloride
SYSTEMATIC NAME: 3-(2-methylpyrimidin-4-yl)benzenesulfonyl chloride
MOLECULAR FORMULA: C11H9ClN2O2S
MOLECULAR WEIGHT: 268.71936
SMILES: CC1=NC=CC(=N1)C2=CC(=CC=C2)S(=O)(=O)Cl
Structure:
CAS RN: 89205-07-2
CAS Name: 5-(4-methoxyphenyl)-4-oxazolecarboxylic acid
OPENEYE Name: 5-(4-methoxyphenyl)oxazole-4-carboxylic acid
IUPAC Name: 5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylic acid
SYSTEMATIC NAME: 5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylic acid
MOLECULAR FORMULA: C11H9NO4
MOLECULAR WEIGHT: 219.19346
SMILES: COC1=CC=C(C=C1)C2=C(N=CO2)C(=O)O
Structure:
CAS RN: 16263-52-8
CAS Name: 3-chloro-1,2-benzoxazole
OPENEYE Name: 3-chloro-1,2-benzoxazole
IUPAC Name: 3-chloro-1,2-benzoxazole
SYSTEMATIC NAME: 3-chloranyl-1,2-benzoxazole
MOLECULAR FORMULA: C7H4ClNO
MOLECULAR WEIGHT: 153.56576
SMILES: C1=CC=C2C(=C1)C(=NO2)Cl
Structure:
CAS RN: 131880-55-2
CAS Name: 2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-sulfonyl chloride
OPENEYE Name: 2,2-dimethylchromane-6-sulfonyl chloride
IUPAC Name: 2,2-dimethyl-3,4-dihydrochromene-6-sulfonyl chloride
SYSTEMATIC NAME: 2,2-dimethyl-3,4-dihydrochromene-6-sulfonyl chloride
MOLECULAR FORMULA: C11H13ClO3S
MOLECULAR WEIGHT: 260.73712
SMILES: CC1(CCC2=C(O1)C=CC(=C2)S(=O)(=O)Cl)C
Structure:
CAS RN: 30129-18-1
CAS Name: 4-(trifluoromethyl)-1-cyclohexanol
OPENEYE Name: 4-(trifluoromethyl)cyclohexanol
IUPAC Name: 4-(trifluoromethyl)cyclohexan-1-ol
SYSTEMATIC NAME: 4-(trifluoromethyl)cyclohexan-1-ol
MOLECULAR FORMULA: C7H11F3O
MOLECULAR WEIGHT: 168.15685
SMILES: C1CC(CCC1C(F)(F)F)O
Structure:
CAS RN: 125867-25-6
CAS Name: 2-[(2,2-dimethyl-1-oxopropyl)amino]-3-pyridinecarboxylic acid
OPENEYE Name: 2-(2,2-dimethylpropanoylamino)pyridine-3-carboxylic acid
IUPAC Name: 2-(2,2-dimethylpropanoylamino)pyridine-3-carboxylic acid
SYSTEMATIC NAME: 2-(2,2-dimethylpropanoylamino)pyridine-3-carboxylic acid
MOLECULAR FORMULA: C11H14N2O3
MOLECULAR WEIGHT: 222.24046
SMILES: CC(C)(C)C(=O)NC1=C(C=CC=N1)C(=O)O
Structure:
CAS RN: 36216-80-5
CAS Name: 1,2-benzoxazol-3-amine
OPENEYE Name: 1,2-benzoxazol-3-amine
IUPAC Name: 1,2-benzoxazol-3-amine
SYSTEMATIC NAME: 1,2-benzoxazol-3-amine
MOLECULAR FORMULA: C7H6N2O
MOLECULAR WEIGHT: 134.13534
SMILES: C1=CC=C2C(=C1)C(=NO2)N
Structure:
CAS RN: 41306-29-0
CAS Name: 2-(3-methyl-2-methylimino-4-oxo-5-thiazolidinyl)acetic acid
OPENEYE Name: 2-(3-methyl-2-methylimino-4-oxo-thiazolidin-5-yl)acetic acid
IUPAC Name: 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetic acid
SYSTEMATIC NAME: 2-(3-methyl-2-methylimino-4-oxidanylidene-1,3-thiazolidin-5-yl)ethanoic acid
MOLECULAR FORMULA: C7H10N2O3S
MOLECULAR WEIGHT: 202.2309
SMILES: CN=C1N(C(=O)C(S1)CC(=O)O)C
Structure:
CAS RN: 31270-80-1
CAS Name: 4-chlorofuro[3,2-c]pyridine
OPENEYE Name: 4-chlorofuro[3,2-c]pyridine
IUPAC Name: 4-chlorofuro[3,2-c]pyridine
SYSTEMATIC NAME: 4-chloranylfuro[3,2-c]pyridine
MOLECULAR FORMULA: C7H4ClNO
MOLECULAR WEIGHT: 153.56576
SMILES: C1=CN=C(C2=C1OC=C2)Cl
Structure:
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