CAS RN: 71114-55-1
CAS Name: 4-chloro-N-(4-chlorophenyl)benzenecarbothioamide
OPENEYE Name: 4-chloro-N-(4-chlorophenyl)benzenecarbothioamide
IUPAC Name: 4-chloro-N-(4-chlorophenyl)benzenecarbothioamide
SYSTEMATIC NAME: 4-chloranyl-N-(4-chlorophenyl)benzenecarbothioamide
MOLECULAR FORMULA: C13H9Cl2NS
MOLECULAR WEIGHT: 282.18826
SMILES: C1=CC(=CC=C1C(=S)NC2=CC=C(C=C2)Cl)Cl
Structure:
CAS RN: 4714-69-6
CAS Name: 4-(dimethylamino)benzenecarbothioamide
OPENEYE Name: 4-(dimethylamino)benzenecarbothioamide
IUPAC Name: 4-(dimethylamino)benzenecarbothioamide
SYSTEMATIC NAME: 4-(dimethylamino)benzenecarbothioamide
MOLECULAR FORMULA: C9H12N2S
MOLECULAR WEIGHT: 180.26998
SMILES: CN(C)C1=CC=C(C=C1)C(=S)N
Structure:
CAS RN: 5310-28-1
CAS Name: N-(4-chlorophenyl)benzenecarbothioamide
OPENEYE Name: N-(4-chlorophenyl)benzenecarbothioamide
IUPAC Name: N-(4-chlorophenyl)benzenecarbothioamide
SYSTEMATIC NAME: N-(4-chlorophenyl)benzenecarbothioamide
MOLECULAR FORMULA: C13H10ClNS
MOLECULAR WEIGHT: 247.7432
SMILES: C1=CC=C(C=C1)C(=S)NC2=CC=C(C=C2)Cl
Structure:
CAS RN: 7560-35-2
CAS Name: 1-methyl-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene
OPENEYE Name: 1-methyl-4-[(E)-2-(4-nitrophenyl)vinyl]benzene
IUPAC Name: 1-methyl-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene
SYSTEMATIC NAME: 1-methyl-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene
MOLECULAR FORMULA: C15H13NO2
MOLECULAR WEIGHT: 239.26922
SMILES: CC1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 24325-70-0
CAS Name: 1-methyl-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene
OPENEYE Name: 1-methyl-4-[(E)-2-(4-nitrophenyl)vinyl]benzene
IUPAC Name: 1-methyl-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene
SYSTEMATIC NAME: 1-methyl-4-[(E)-2-(4-nitrophenyl)ethenyl]benzene
MOLECULAR FORMULA: C15H13NO2
MOLECULAR WEIGHT: 239.26922
SMILES: CC1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 35272-19-6
CAS Name: 3-methyl-5-nitro-1,2-benzothiazole
OPENEYE Name: 3-methyl-5-nitro-1,2-benzothiazole
IUPAC Name: 3-methyl-5-nitro-1,2-benzothiazole
SYSTEMATIC NAME: 3-methyl-5-nitro-1,2-benzothiazole
MOLECULAR FORMULA: C8H6N2O2S
MOLECULAR WEIGHT: 194.21044
SMILES: CC1=NSC2=C1C=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 40056-75-5
CAS Name: 1-[4-amino-2-(methylthio)-5-thiazolyl]ethanone
OPENEYE Name: 1-(4-amino-2-methylsulfanyl-thiazol-5-yl)ethanone
IUPAC Name: 1-(4-amino-2-methylsulfanyl-1,3-thiazol-5-yl)ethanone
SYSTEMATIC NAME: 1-(4-azanyl-2-methylsulfanyl-1,3-thiazol-5-yl)ethanone
MOLECULAR FORMULA: C6H8N2OS2
MOLECULAR WEIGHT: 188.27052
SMILES: CC(=O)C1=C(N=C(S1)SC)N
Structure:
CAS RN: 116170-84-4
CAS Name: 4-cyano-5-(methylthio)-2-thiophenecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-cyano-5-methylsulfanyl-thiophene-2-carboxylate
IUPAC Name: ethyl 4-cyano-5-methylsulfanylthiophene-2-carboxylate
SYSTEMATIC NAME: ethyl 4-cyano-5-methylsulfanyl-thiophene-2-carboxylate
MOLECULAR FORMULA: C9H9NO2S2
MOLECULAR WEIGHT: 227.30326
SMILES: CCOC(=O)C1=CC(=C(S1)SC)C#N
Structure:
CAS RN: 2248-73-9
CAS Name: 4-(aminomethyl)-2H-phthalazin-1-one
OPENEYE Name: 4-(aminomethyl)-2H-phthalazin-1-one
IUPAC Name: 4-(aminomethyl)-2H-phthalazin-1-one
SYSTEMATIC NAME: 4-(aminomethyl)-2H-phthalazin-1-one
MOLECULAR FORMULA: C9H9N3O
MOLECULAR WEIGHT: 175.18726
SMILES: C1=CC=C2C(=C1)C(=NNC2=O)CN
Structure:
CAS RN: 13541-00-9
CAS Name: N-[(4-chlorophenyl)methyl]-1-phenylmethanamine
OPENEYE Name: N-[(4-chlorophenyl)methyl]-1-phenyl-methanamine
IUPAC Name: N-[(4-chlorophenyl)methyl]-1-phenylmethanamine
SYSTEMATIC NAME: N-[(4-chlorophenyl)methyl]-1-phenyl-methanamine
MOLECULAR FORMULA: C14H14ClN
MOLECULAR WEIGHT: 231.72066
SMILES: C1=CC=C(C=C1)CNCC2=CC=C(C=C2)Cl
Structure:
CAS RN: 180741-46-2
CAS Name: 3-(5-methyl-1-pyrazolyl)propanoic acid
OPENEYE Name: 3-(5-methylpyrazol-1-yl)propanoic acid
IUPAC Name: 3-(5-methylpyrazol-1-yl)propanoic acid
SYSTEMATIC NAME: 3-(5-methylpyrazol-1-yl)propanoic acid
MOLECULAR FORMULA: C7H10N2O2
MOLECULAR WEIGHT: 154.1665
SMILES: CC1=CC=NN1CCC(=O)O
Structure:
CAS RN: 34262-88-9
CAS Name: 2-[(4-methoxyphenyl)thio]acetic acid
OPENEYE Name: 2-(4-methoxyphenyl)sulfanylacetic acid
IUPAC Name: 2-(4-methoxyphenyl)sulfanylacetic acid
SYSTEMATIC NAME: 2-(4-methoxyphenyl)sulfanylethanoic acid
MOLECULAR FORMULA: C9H10O3S
MOLECULAR WEIGHT: 198.2389
SMILES: COC1=CC=C(C=C1)SCC(=O)O
Structure:
CAS RN: 38071-22-6
CAS Name: 4,5-dibromo-2-thiophenecarboxaldehyde
OPENEYE Name: 4,5-dibromothiophene-2-carbaldehyde
IUPAC Name: 4,5-dibromothiophene-2-carbaldehyde
SYSTEMATIC NAME: 4,5-bis(bromanyl)thiophene-2-carbaldehyde
MOLECULAR FORMULA: C5H2Br2OS
MOLECULAR WEIGHT: 269.94178
SMILES: C1=C(SC(=C1Br)Br)C=O
Structure:
CAS RN: 55263-52-0
CAS Name: 1-(4-fluorophenyl)sulfonyl-2-methylimidazole
OPENEYE Name: 1-(4-fluorophenyl)sulfonyl-2-methyl-imidazole
IUPAC Name: 1-(4-fluorophenyl)sulfonyl-2-methylimidazole
SYSTEMATIC NAME: 1-(4-fluorophenyl)sulfonyl-2-methyl-imidazole
MOLECULAR FORMULA: C10H9FN2O2S
MOLECULAR WEIGHT: 240.254063
SMILES: CC1=NC=CN1S(=O)(=O)C2=CC=C(C=C2)F
Structure:
CAS RN: 32542-16-8
CAS Name: 4-chloro-2,8-dimethylquinoline
OPENEYE Name: 4-chloro-2,8-dimethyl-quinoline
IUPAC Name: 4-chloro-2,8-dimethylquinoline
SYSTEMATIC NAME: 4-chloranyl-2,8-dimethyl-quinoline
MOLECULAR FORMULA: C11H10ClN
MOLECULAR WEIGHT: 191.6568
SMILES: CC1=CC=CC2=C1N=C(C=C2Cl)C
Structure:
CAS RN: 5628-64-8
CAS Name: 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]acetic acid
OPENEYE Name: 2-[N-(benzenesulfonyl)-3,5-dimethyl-anilino]acetic acid
IUPAC Name: 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]acetic acid
SYSTEMATIC NAME: 2-[(3,5-dimethylphenyl)-(phenylsulfonyl)amino]ethanoic acid
MOLECULAR FORMULA: C16H17NO4S
MOLECULAR WEIGHT: 319.37548
SMILES: CC1=CC(=CC(=C1)N(CC(=O)O)S(=O)(=O)C2=CC=CC=C2)C
Structure:
CAS RN: 5049-78-5
CAS Name: N'-[2-(2,4-dichlorophenoxy)-1-oxoethyl]-2-thiophenecarbohydrazide
OPENEYE Name: N'-[2-(2,4-dichlorophenoxy)acetyl]thiophene-2-carbohydrazide
IUPAC Name: N'-[2-(2,4-dichlorophenoxy)acetyl]thiophene-2-carbohydrazide
SYSTEMATIC NAME: N'-[2-[2,4-bis(chloranyl)phenoxy]ethanoyl]thiophene-2-carbohydrazide
MOLECULAR FORMULA: C13H10Cl2N2O3S
MOLECULAR WEIGHT: 345.2011
SMILES: C1=CSC(=C1)C(=O)NNC(=O)COC2=C(C=C(C=C2)Cl)Cl
Structure:
CAS RN: 148183-93-1
CAS Name: 2-(4-methoxyphenoxy)-1-(4-morpholinyl)ethanone
OPENEYE Name: 2-(4-methoxyphenoxy)-1-morpholino-ethanone
IUPAC Name: 2-(4-methoxyphenoxy)-1-morpholin-4-ylethanone
SYSTEMATIC NAME: 2-(4-methoxyphenoxy)-1-morpholin-4-yl-ethanone
MOLECULAR FORMULA: C13H17NO4
MOLECULAR WEIGHT: 251.27838
SMILES: COC1=CC=C(C=C1)OCC(=O)N2CCOCC2
Structure:
CAS RN: 148183-92-0
CAS Name: 2-(2-methoxyphenoxy)-1-(4-morpholinyl)ethanone
OPENEYE Name: 2-(2-methoxyphenoxy)-1-morpholino-ethanone
IUPAC Name: 2-(2-methoxyphenoxy)-1-morpholin-4-ylethanone
SYSTEMATIC NAME: 2-(2-methoxyphenoxy)-1-morpholin-4-yl-ethanone
MOLECULAR FORMULA: C13H17NO4
MOLECULAR WEIGHT: 251.27838
SMILES: COC1=CC=CC=C1OCC(=O)N2CCOCC2
Structure:
CAS RN: 26456-28-0
CAS Name: 4-(1-pyrrolidinyl)aniline
OPENEYE Name: 4-pyrrolidin-1-ylaniline
IUPAC Name: 4-pyrrolidin-1-ylaniline
SYSTEMATIC NAME: 4-pyrrolidin-1-ylaniline
MOLECULAR FORMULA: C10H14N2
MOLECULAR WEIGHT: 162.23156
SMILES: C1CCN(C1)C2=CC=C(C=C2)N
Structure:
CAS RN: 163596-75-6
CAS Name: 4-bromo-3-nitrobenzaldehyde
OPENEYE Name: 4-bromo-3-nitro-benzaldehyde
IUPAC Name: 4-bromo-3-nitrobenzaldehyde
SYSTEMATIC NAME: 4-bromanyl-3-nitro-benzaldehyde
MOLECULAR FORMULA: C7H4BrNO3
MOLECULAR WEIGHT: 230.01556
SMILES: C1=CC(=C(C=C1C=O)[N+](=O)[O-])Br
Structure:
CAS RN: 26586-27-6
CAS Name: 3-amino-4-(1-piperidinyl)benzoic acid
OPENEYE Name: 3-amino-4-(1-piperidyl)benzoic acid
IUPAC Name: 3-amino-4-piperidin-1-ylbenzoic acid
SYSTEMATIC NAME: 3-azanyl-4-piperidin-1-yl-benzoic acid
MOLECULAR FORMULA: C12H16N2O2
MOLECULAR WEIGHT: 220.26764
SMILES: C1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)N
Structure:
CAS RN: 62089-74-1
CAS Name: 1-(pyridin-4-ylmethyl)piperazine
OPENEYE Name: 1-(4-pyridylmethyl)piperazine
IUPAC Name: 1-(pyridin-4-ylmethyl)piperazine
SYSTEMATIC NAME: 1-(pyridin-4-ylmethyl)piperazine
MOLECULAR FORMULA: C10H15N3
MOLECULAR WEIGHT: 177.2462
SMILES: C1CN(CCN1)CC2=CC=NC=C2
Structure:
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