CAS RN: 5343-90-8
CAS Name: N-ethyl-4-methoxy-N-phenylbenzenesulfonamide
OPENEYE Name: N-ethyl-4-methoxy-N-phenyl-benzenesulfonamide
IUPAC Name: N-ethyl-4-methoxy-N-phenylbenzenesulfonamide
SYSTEMATIC NAME: N-ethyl-4-methoxy-N-phenyl-benzenesulfonamide
MOLECULAR FORMULA: C15H17NO3S
MOLECULAR WEIGHT: 291.36538
SMILES: CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OC
Structure:
CAS RN: 313701-93-8
CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)-2-hydroxybenzoic acid
OPENEYE Name: 4-(2,5-dimethylpyrrol-1-yl)-2-hydroxy-benzoic acid
IUPAC Name: 4-(2,5-dimethylpyrrol-1-yl)-2-hydroxybenzoic acid
SYSTEMATIC NAME: 4-(2,5-dimethylpyrrol-1-yl)-2-oxidanyl-benzoic acid
MOLECULAR FORMULA: C13H13NO3
MOLECULAR WEIGHT: 231.24722
SMILES: CC1=CC=C(N1C2=CC(=C(C=C2)C(=O)O)O)C
Structure:
CAS RN: 5987-00-8
CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)-2-hydroxybenzoic acid
OPENEYE Name: 4-(2,5-dimethylpyrrol-1-yl)-2-hydroxy-benzoic acid
IUPAC Name: 4-(2,5-dimethylpyrrol-1-yl)-2-hydroxybenzoic acid
SYSTEMATIC NAME: 4-(2,5-dimethylpyrrol-1-yl)-2-oxidanyl-benzoic acid
MOLECULAR FORMULA: C13H13NO3
MOLECULAR WEIGHT: 231.24722
SMILES: CC1=CC=C(N1C2=CC(=C(C=C2)C(=O)O)O)C
Structure:
CAS RN: 73511-58-7
CAS Name: 4-phenyl-3-(8-quinolinyloxymethyl)-1H-1,2,4-triazole-5-thione
OPENEYE Name: 4-phenyl-3-(8-quinolyloxymethyl)-1H-1,2,4-triazole-5-thione
IUPAC Name: 4-phenyl-3-(quinolin-8-yloxymethyl)-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-phenyl-3-(quinolin-8-yloxymethyl)-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C18H14N4OS
MOLECULAR WEIGHT: 334.39496
SMILES: C1=CC=C(C=C1)N2C(=NNC2=S)COC3=CC=CC4=C3N=CC=C4
Structure:
CAS RN: 5772-84-9
CAS Name: N-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
OPENEYE Name: N-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
IUPAC Name: N-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
SYSTEMATIC NAME: N-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
MOLECULAR FORMULA: C10H8ClN3O
MOLECULAR WEIGHT: 221.64302
SMILES: C1=CC(=CC=C1NC(=O)C2=CC=NN2)Cl
Structure:
CAS RN: 321-07-3
CAS Name: 2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one
OPENEYE Name: 2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one
IUPAC Name: 2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one
SYSTEMATIC NAME: 2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one
MOLECULAR FORMULA: C10H7F3N2O
MOLECULAR WEIGHT: 228.17059
SMILES: C1C(=NN(C1=O)C2=CC=CC=C2)C(F)(F)F
Structure:
CAS RN: 726-25-0
CAS Name: 1-phenyl-3-(phenylmethyl)thiourea
OPENEYE Name: 1-benzyl-3-phenyl-thiourea
IUPAC Name: 1-benzyl-3-phenylthiourea
SYSTEMATIC NAME: 1-phenyl-3-(phenylmethyl)thiourea
MOLECULAR FORMULA: C14H14N2S
MOLECULAR WEIGHT: 242.33936
SMILES: C1=CC=C(C=C1)CNC(=S)NC2=CC=CC=C2
Structure:
CAS RN: 10412-93-8
CAS Name: 2-cyano-N-(phenylmethyl)acetamide
OPENEYE Name: N-benzyl-2-cyano-acetamide
IUPAC Name: N-benzyl-2-cyanoacetamide
SYSTEMATIC NAME: 2-cyano-N-(phenylmethyl)ethanamide
MOLECULAR FORMULA: C10H10N2O
MOLECULAR WEIGHT: 174.1992
SMILES: C1=CC=C(C=C1)CNC(=O)CC#N
Structure:
CAS RN: 59803-32-6
CAS Name: (E)-3-(2-bromophenyl)-2-cyano-2-propenoic acid ethyl ester
OPENEYE Name: ethyl (E)-3-(2-bromophenyl)-2-cyano-prop-2-enoate
IUPAC Name: ethyl (E)-3-(2-bromophenyl)-2-cyanoprop-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-(2-bromophenyl)-2-cyano-prop-2-enoate
MOLECULAR FORMULA: C12H10BrNO2
MOLECULAR WEIGHT: 280.1173
SMILES: CCOC(=O)/C(=C/C1=CC=CC=C1Br)/C#N
Structure:
CAS RN: 39753-81-6
CAS Name: 2-(4-nitro-1-pyrazolyl)acetic acid ethyl ester
OPENEYE Name: ethyl 2-(4-nitropyrazol-1-yl)acetate
IUPAC Name: ethyl 2-(4-nitropyrazol-1-yl)acetate
SYSTEMATIC NAME: ethyl 2-(4-nitropyrazol-1-yl)ethanoate
MOLECULAR FORMULA: C7H9N3O4
MOLECULAR WEIGHT: 199.16406
SMILES: CCOC(=O)CN1C=C(C=N1)[N+](=O)[O-]
Structure:
CAS RN: 636-04-4
CAS Name: N-phenylbenzenecarbothioamide
OPENEYE Name: N-phenylbenzenecarbothioamide
IUPAC Name: N-phenylbenzenecarbothioamide
SYSTEMATIC NAME: N-phenylbenzenecarbothioamide
MOLECULAR FORMULA: C13H11NS
MOLECULAR WEIGHT: 213.29814
SMILES: C1=CC=C(C=C1)C(=S)NC2=CC=CC=C2
Structure:
CAS RN: 73486-92-7
CAS Name: (E)-3-(4-methoxyphenyl)-2-propenoic acid cyclohexyl ester
OPENEYE Name: cyclohexyl (E)-3-(4-methoxyphenyl)prop-2-enoate
IUPAC Name: cyclohexyl (E)-3-(4-methoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: cyclohexyl (E)-3-(4-methoxyphenyl)prop-2-enoate
MOLECULAR FORMULA: C16H20O3
MOLECULAR WEIGHT: 260.3282
SMILES: COC1=CC=C(C=C1)/C=C/C(=O)OC2CCCCC2
Structure:
CAS RN: 951-86-0
CAS Name: [(E)-1,2-dichloro-2-phenylethenyl]benzene
OPENEYE Name: [(E)-1,2-dichloro-2-phenyl-vinyl]benzene
IUPAC Name: [(E)-1,2-dichloro-2-phenylethenyl]benzene
SYSTEMATIC NAME: [(E)-1,2-bis(chloranyl)-2-phenyl-ethenyl]benzene
MOLECULAR FORMULA: C14H10Cl2
MOLECULAR WEIGHT: 249.1352
SMILES: C1=CC=C(C=C1)/C(=C(/C2=CC=CC=C2)\Cl)/Cl
Structure:
CAS RN: 2025-40-3
CAS Name: (E)-2-cyano-3-phenyl-2-propenoic acid ethyl ester
OPENEYE Name: ethyl (E)-2-cyano-3-phenyl-prop-2-enoate
IUPAC Name: ethyl (E)-2-cyano-3-phenylprop-2-enoate
SYSTEMATIC NAME: ethyl (E)-2-cyano-3-phenyl-prop-2-enoate
MOLECULAR FORMULA: C12H11NO2
MOLECULAR WEIGHT: 201.22124
SMILES: CCOC(=O)/C(=C/C1=CC=CC=C1)/C#N
Structure:
CAS RN: 756509-63-4
CAS Name: (E)-2-cyano-3-phenyl-2-propenoic acid ethyl ester
OPENEYE Name: ethyl (E)-2-cyano-3-phenyl-prop-2-enoate
IUPAC Name: ethyl (E)-2-cyano-3-phenylprop-2-enoate
SYSTEMATIC NAME: ethyl (E)-2-cyano-3-phenyl-prop-2-enoate
MOLECULAR FORMULA: C12H11NO2
MOLECULAR WEIGHT: 201.22124
SMILES: CCOC(=O)/C(=C/C1=CC=CC=C1)/C#N
Structure:
CAS RN: 4437-08-5
CAS Name: (E)-4-anilino-4-oxo-2-butenoic acid
OPENEYE Name: (E)-4-anilino-4-oxo-but-2-enoic acid
IUPAC Name: (E)-4-anilino-4-oxobut-2-enoic acid
SYSTEMATIC NAME: (E)-4-oxidanylidene-4-phenylazanyl-but-2-enoic acid
MOLECULAR FORMULA: C10H9NO3
MOLECULAR WEIGHT: 191.18336
SMILES: C1=CC=C(C=C1)NC(=O)/C=C/C(=O)O
Structure:
CAS RN: 37902-58-2
CAS Name: (E)-4-anilino-4-oxo-2-butenoic acid
OPENEYE Name: (E)-4-anilino-4-oxo-but-2-enoic acid
IUPAC Name: (E)-4-anilino-4-oxobut-2-enoic acid
SYSTEMATIC NAME: (E)-4-oxidanylidene-4-phenylazanyl-but-2-enoic acid
MOLECULAR FORMULA: C10H9NO3
MOLECULAR WEIGHT: 191.18336
SMILES: C1=CC=C(C=C1)NC(=O)/C=C/C(=O)O
Structure:
CAS RN: 2929-81-9
CAS Name: [[4-(dimethylamino)phenyl]methylideneamino]thiourea
OPENEYE Name: [[4-(dimethylamino)phenyl]methyleneamino]thiourea
IUPAC Name: [[4-(dimethylamino)phenyl]methylideneamino]thiourea
SYSTEMATIC NAME: 1-[[4-(dimethylamino)phenyl]methylideneamino]thiourea
MOLECULAR FORMULA: C10H14N4S
MOLECULAR WEIGHT: 222.30996
SMILES: CN(C)C1=CC=C(C=C1)C=NNC(=S)N
Structure:
CAS RN: 5105-94-2
CAS Name: 2-amino-6-(2-methylpropyl)-4-phenyl-3-pyridinecarbonitrile
OPENEYE Name: 2-amino-6-isobutyl-4-phenyl-pyridine-3-carbonitrile
IUPAC Name: 2-amino-6-(2-methylpropyl)-4-phenylpyridine-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-6-(2-methylpropyl)-4-phenyl-pyridine-3-carbonitrile
MOLECULAR FORMULA: C16H17N3
MOLECULAR WEIGHT: 251.32628
SMILES: CC(C)CC1=NC(=C(C(=C1)C2=CC=CC=C2)C#N)N
Structure:
CAS RN: 897-55-2
CAS Name: N,N-dimethyl-4-[(E)-2-(4-quinolinyl)ethenyl]aniline
OPENEYE Name: N,N-dimethyl-4-[(E)-2-(4-quinolyl)vinyl]aniline
IUPAC Name: N,N-dimethyl-4-[(E)-2-quinolin-4-ylethenyl]aniline
SYSTEMATIC NAME: N,N-dimethyl-4-[(E)-2-quinolin-4-ylethenyl]aniline
MOLECULAR FORMULA: C19H18N2
MOLECULAR WEIGHT: 274.35962
SMILES: CN(C)C1=CC=C(C=C1)/C=C/C2=CC=NC3=CC=CC=C23
Structure:
CAS RN: 66796-38-1
CAS Name: N,N-dimethyl-4-[(E)-2-(4-quinolinyl)ethenyl]aniline
OPENEYE Name: N,N-dimethyl-4-[(E)-2-(4-quinolyl)vinyl]aniline
IUPAC Name: N,N-dimethyl-4-[(E)-2-quinolin-4-ylethenyl]aniline
SYSTEMATIC NAME: N,N-dimethyl-4-[(E)-2-quinolin-4-ylethenyl]aniline
MOLECULAR FORMULA: C19H18N2
MOLECULAR WEIGHT: 274.35962
SMILES: CN(C)C1=CC=C(C=C1)/C=C/C2=CC=NC3=CC=CC=C23
Structure:
CAS RN: 82735-46-4
CAS Name: N,N-dimethyl-4-[(E)-2-(4-quinolinyl)ethenyl]aniline
OPENEYE Name: N,N-dimethyl-4-[(E)-2-(4-quinolyl)vinyl]aniline
IUPAC Name: N,N-dimethyl-4-[(E)-2-quinolin-4-ylethenyl]aniline
SYSTEMATIC NAME: N,N-dimethyl-4-[(E)-2-quinolin-4-ylethenyl]aniline
MOLECULAR FORMULA: C19H18N2
MOLECULAR WEIGHT: 274.35962
SMILES: CN(C)C1=CC=C(C=C1)/C=C/C2=CC=NC3=CC=CC=C23
Structure:
CAS RN: 299405-24-6
CAS Name: 2-[5-methyl-3-(trifluoromethyl)-1-pyrazolyl]acetic acid ethyl ester
OPENEYE Name: ethyl 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetate
IUPAC Name: ethyl 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetate
SYSTEMATIC NAME: ethyl 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanoate
MOLECULAR FORMULA: C9H11F3N2O2
MOLECULAR WEIGHT: 236.19105
SMILES: CCOC(=O)CN1C(=CC(=N1)C(F)(F)F)C
Structure:
CAS RN: 58954-39-5
CAS Name: 5-phenyl-6H-1,3,4-thiadiazin-2-amine
OPENEYE Name: 5-phenyl-6H-1,3,4-thiadiazin-2-amine
IUPAC Name: 5-phenyl-6H-1,3,4-thiadiazin-2-amine
SYSTEMATIC NAME: 5-phenyl-6H-1,3,4-thiadiazin-2-amine
MOLECULAR FORMULA: C9H9N3S
MOLECULAR WEIGHT: 191.25286
SMILES: C1C(=NN=C(S1)N)C2=CC=CC=C2
Structure:
CAS RN: 6954-50-3
CAS Name: 1-[[oxo(pyridin-4-yl)methyl]amino]-3-phenylthiourea
OPENEYE Name: 1-phenyl-3-(pyridine-4-carbonylamino)thiourea
IUPAC Name: 1-phenyl-3-(pyridine-4-carbonylamino)thiourea
SYSTEMATIC NAME: 1-phenyl-3-(pyridin-4-ylcarbonylamino)thiourea
MOLECULAR FORMULA: C13H12N4OS
MOLECULAR WEIGHT: 272.32558
SMILES: C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=NC=C2
Structure:
CAS RN: 5279-41-4
CAS Name: 3-(2-oxo-1-pyrrolidinyl)benzoic acid methyl ester
OPENEYE Name: methyl 3-(2-oxopyrrolidin-1-yl)benzoate
IUPAC Name: methyl 3-(2-oxopyrrolidin-1-yl)benzoate
SYSTEMATIC NAME: methyl 3-(2-oxidanylidenepyrrolidin-1-yl)benzoate
MOLECULAR FORMULA: C12H13NO3
MOLECULAR WEIGHT: 219.23652
SMILES: COC(=O)C1=CC(=CC=C1)N2CCCC2=O
Structure:
CAS RN: 5305-63-5
CAS Name: 1-(3,5-dimethyl-1-pyrazolyl)-2-(1-naphthalenyloxy)ethanone
OPENEYE Name: 1-(3,5-dimethylpyrazol-1-yl)-2-(1-naphthyloxy)ethanone
IUPAC Name: 1-(3,5-dimethylpyrazol-1-yl)-2-naphthalen-1-yloxyethanone
SYSTEMATIC NAME: 1-(3,5-dimethylpyrazol-1-yl)-2-naphthalen-1-yloxy-ethanone
MOLECULAR FORMULA: C17H16N2O2
MOLECULAR WEIGHT: 280.32114
SMILES: CC1=CC(=NN1C(=O)COC2=CC=CC3=CC=CC=C32)C
Structure:
CAS RN: 41648-53-7
CAS Name: 1-(10-phenothiazinyl)-2-phenoxyethanone
OPENEYE Name: 1-phenothiazin-10-yl-2-phenoxy-ethanone
IUPAC Name: 1-phenothiazin-10-yl-2-phenoxyethanone
SYSTEMATIC NAME: 1-phenothiazin-10-yl-2-phenoxy-ethanone
MOLECULAR FORMULA: C20H15NO2S
MOLECULAR WEIGHT: 333.4036
SMILES: C1=CC=C(C=C1)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42
Structure:
CAS RN: 42310-58-7
CAS Name: 2-(2,4-dichlorophenoxy)-N-(2-thiazolyl)acetamide
OPENEYE Name: 2-(2,4-dichlorophenoxy)-N-thiazol-2-yl-acetamide
IUPAC Name: 2-(2,4-dichlorophenoxy)-N-(1,3-thiazol-2-yl)acetamide
SYSTEMATIC NAME: 2-[2,4-bis(chloranyl)phenoxy]-N-(1,3-thiazol-2-yl)ethanamide
MOLECULAR FORMULA: C11H8Cl2N2O2S
MOLECULAR WEIGHT: 303.16442
SMILES: C1=CC(=C(C=C1Cl)Cl)OCC(=O)NC2=NC=CS2
Structure:
CAS RN: 5246-86-6
CAS Name: N-(1,3-benzodioxol-5-yl)-2-furancarboxamide
OPENEYE Name: N-(1,3-benzodioxol-5-yl)furan-2-carboxamide
IUPAC Name: N-(1,3-benzodioxol-5-yl)furan-2-carboxamide
SYSTEMATIC NAME: N-(1,3-benzodioxol-5-yl)furan-2-carboxamide
MOLECULAR FORMULA: C12H9NO4
MOLECULAR WEIGHT: 231.20416
SMILES: C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC=CO3
Structure:
CAS RN: 128143-89-5
CAS Name: 4-chloro-2,6-bis(2-pyridinyl)pyridine
OPENEYE Name: 4-chloro-2,6-bis(2-pyridyl)pyridine
IUPAC Name: 4-chloro-2,6-dipyridin-2-ylpyridine
SYSTEMATIC NAME: 4-chloranyl-2,6-dipyridin-2-yl-pyridine
MOLECULAR FORMULA: C15H10ClN3
MOLECULAR WEIGHT: 267.713
SMILES: C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)Cl
Structure:
CAS RN: 1849-71-4
CAS Name: 4,5-dichloro-1,3-benzothiazol-2-amine
OPENEYE Name: 4,5-dichloro-1,3-benzothiazol-2-amine
IUPAC Name: 4,5-dichloro-1,3-benzothiazol-2-amine
SYSTEMATIC NAME: 4,5-bis(chloranyl)-1,3-benzothiazol-2-amine
MOLECULAR FORMULA: C7H4Cl2N2S
MOLECULAR WEIGHT: 219.09106
SMILES: C1=CC(=C(C2=C1SC(=N2)N)Cl)Cl
Structure:
CAS RN: 88965-00-8
CAS Name: 6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine
OPENEYE Name: 6-methyl-2-(p-tolyl)imidazo[1,2-a]pyridine
IUPAC Name: 6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine
SYSTEMATIC NAME: 6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine
MOLECULAR FORMULA: C15H14N2
MOLECULAR WEIGHT: 222.28506
SMILES: CC1=CC=C(C=C1)C2=CN3C=C(C=CC3=N2)C
Structure:
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