CAS RN: 13094-44-5
CAS Name: 1-(3-chlorophenyl)-3-[[oxo(pyridin-4-yl)methyl]amino]thiourea
OPENEYE Name: 1-(3-chlorophenyl)-3-(pyridine-4-carbonylamino)thiourea
IUPAC Name: 1-(3-chlorophenyl)-3-(pyridine-4-carbonylamino)thiourea
SYSTEMATIC NAME: 1-(3-chlorophenyl)-3-(pyridin-4-ylcarbonylamino)thiourea
MOLECULAR FORMULA: C13H11ClN4OS
MOLECULAR WEIGHT: 306.77064
SMILES: C1=CC(=CC(=C1)Cl)NC(=S)NNC(=O)C2=CC=NC=C2
Structure:
CAS RN: 70619-50-0
CAS Name: 4-[[hydrazinyl(sulfanylidene)methyl]amino]benzoic acid ethyl ester
OPENEYE Name: ethyl 4-(aminocarbamothioylamino)benzoate
IUPAC Name: ethyl 4-(aminocarbamothioylamino)benzoate
SYSTEMATIC NAME: ethyl 4-(azanylcarbamothioylamino)benzoate
MOLECULAR FORMULA: C10H13N3O2S
MOLECULAR WEIGHT: 239.29412
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=S)NN
Structure:
CAS RN: 30086-64-7
CAS Name: 1,3,3a,4,5,6,7,7a-octahydrobenzimidazole-2-thione
OPENEYE Name: 1,3,3a,4,5,6,7,7a-octahydrobenzimidazole-2-thione
IUPAC Name: 1,3,3a,4,5,6,7,7a-octahydrobenzimidazole-2-thione
SYSTEMATIC NAME: 1,3,3a,4,5,6,7,7a-octahydrobenzimidazole-2-thione
MOLECULAR FORMULA: C7H12N2S
MOLECULAR WEIGHT: 156.24858
SMILES: C1CCC2C(C1)NC(=S)N2
Structure:
CAS RN: 72082-30-5
CAS Name: N-[(1-methyl-2-pyrrolyl)-sulfanylidenemethyl]carbamic acid ethyl ester
OPENEYE Name: ethyl N-(1-methylpyrrole-2-carbothioyl)carbamate
IUPAC Name: ethyl N-(1-methylpyrrole-2-carbothioyl)carbamate
SYSTEMATIC NAME: ethyl N-(1-methylpyrrol-2-yl)carbothioylcarbamate
MOLECULAR FORMULA: C9H12N2O2S
MOLECULAR WEIGHT: 212.26878
SMILES: CCOC(=O)NC(=S)C1=CC=CN1C
Structure:
CAS RN: 4765-97-3
CAS Name: N-[(2,4-dichlorophenyl)methylideneamino]-3-ethyl-N-methyl-2-quinoxalinamine
OPENEYE Name: N-[(2,4-dichlorophenyl)methyleneamino]-3-ethyl-N-methyl-quinoxalin-2-amine
IUPAC Name: N-[(2,4-dichlorophenyl)methylideneamino]-3-ethyl-N-methylquinoxalin-2-amine
SYSTEMATIC NAME: N-[(2,4-dichlorophenyl)methylideneamino]-3-ethyl-N-methyl-quinoxalin-2-amine
MOLECULAR FORMULA: C18H16Cl2N4
MOLECULAR WEIGHT: 359.25244
SMILES: CCC1=NC2=CC=CC=C2N=C1N(C)N=CC3=C(C=C(C=C3)Cl)Cl
Structure:
CAS RN: 4765-36-0
CAS Name: 1-(2-methylphenyl)-2,4-dioxo-5-pyrimidinecarbonitrile
OPENEYE Name: 1-(o-tolyl)-2,4-dioxo-pyrimidine-5-carbonitrile
IUPAC Name: 1-(2-methylphenyl)-2,4-dioxopyrimidine-5-carbonitrile
SYSTEMATIC NAME: 1-(2-methylphenyl)-2,4-bis(oxidanylidene)pyrimidine-5-carbonitrile
MOLECULAR FORMULA: C12H9N3O2
MOLECULAR WEIGHT: 227.21876
SMILES: CC1=CC=CC=C1N2C=C(C(=O)NC2=O)C#N
Structure:
CAS RN: 35853-43-1
CAS Name: 2,7-bis(trifluoromethyl)-1H-quinolin-4-one
OPENEYE Name: 2,7-bis(trifluoromethyl)-1H-quinolin-4-one
IUPAC Name: 2,7-bis(trifluoromethyl)-1H-quinolin-4-one
SYSTEMATIC NAME: 2,7-bis(trifluoromethyl)-1H-quinolin-4-one
MOLECULAR FORMULA: C11H5F6NO
MOLECULAR WEIGHT: 281.153919
SMILES: C1=CC2=C(C=C1C(F)(F)F)NC(=CC2=O)C(F)(F)F
Structure:
CAS RN: 80151-16-2
CAS Name: 4-(3-hydroxyprop-1-ynyl)benzonitrile
OPENEYE Name: 4-(3-hydroxyprop-1-ynyl)benzonitrile
IUPAC Name: 4-(3-hydroxyprop-1-ynyl)benzonitrile
SYSTEMATIC NAME: 4-(3-oxidanylprop-1-ynyl)benzenecarbonitrile
MOLECULAR FORMULA: C10H7NO
MOLECULAR WEIGHT: 157.16868
SMILES: C1=CC(=CC=C1C#CCO)C#N
Structure:
CAS RN: 132924-59-5
CAS Name: 3-[(4-chlorophenyl)thio]-1-(diphenylmethyl)azetidine
OPENEYE Name: 1-benzhydryl-3-(4-chlorophenyl)sulfanyl-azetidine
IUPAC Name: 1-benzhydryl-3-(4-chlorophenyl)sulfanylazetidine
SYSTEMATIC NAME: 3-(4-chlorophenyl)sulfanyl-1-(diphenylmethyl)azetidine
MOLECULAR FORMULA: C22H20ClNS
MOLECULAR WEIGHT: 365.9189
SMILES: C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)SC4=CC=C(C=C4)Cl
Structure:
CAS RN: 70918-74-0
CAS Name: 2,3-dihydro-1,4-benzodioxin-3-yl(1-piperazinyl)methanone hydrochloride
OPENEYE Name: 2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone hydrochloride
IUPAC Name: 2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone hydrochloride
SYSTEMATIC NAME: 2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone hydrochloride
MOLECULAR FORMULA: C13H17ClN2O3
MOLECULAR WEIGHT: 284.73868
SMILES: C1CN(CCN1)C(=O)C2COC3=CC=CC=C3O2.Cl
Structure:
CAS RN: 16462-26-3
CAS Name: 6-amino-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
OPENEYE Name: 6-amino-2-thioxo-1H-pyrimidine-5-carbonitrile
IUPAC Name: 6-amino-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
SYSTEMATIC NAME: 6-azanyl-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
MOLECULAR FORMULA: C5H4N4S
MOLECULAR WEIGHT: 152.17706
SMILES: C1=NC(=S)NC(=C1C#N)N
Structure:
CAS RN: 80194-68-9
CAS Name: 3-chloro-5-(trifluoromethyl)-2-pyridinecarboxylic acid
OPENEYE Name: 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid
IUPAC Name: 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid
SYSTEMATIC NAME: 3-chloranyl-5-(trifluoromethyl)pyridine-2-carboxylic acid
MOLECULAR FORMULA: C7H3ClF3NO2
MOLECULAR WEIGHT: 225.55243
SMILES: C1=C(C=NC(=C1Cl)C(=O)O)C(F)(F)F
Structure:
CAS RN: 80194-18-9
CAS Name: 3-chloro-5-(trifluoromethyl)-2-pyridinecarboxylic acid
OPENEYE Name: 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid
IUPAC Name: 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid
SYSTEMATIC NAME: 3-chloranyl-5-(trifluoromethyl)pyridine-2-carboxylic acid
MOLECULAR FORMULA: C7H3ClF3NO2
MOLECULAR WEIGHT: 225.55243
SMILES: C1=C(C=NC(=C1Cl)C(=O)O)C(F)(F)F
Structure:
CAS RN: 4763-93-3
CAS Name: 8-bromo-4-phenoxy-2-(trifluoromethyl)quinoline
OPENEYE Name: 8-bromo-4-phenoxy-2-(trifluoromethyl)quinoline
IUPAC Name: 8-bromo-4-phenoxy-2-(trifluoromethyl)quinoline
SYSTEMATIC NAME: 8-bromanyl-4-phenoxy-2-(trifluoromethyl)quinoline
MOLECULAR FORMULA: C16H9BrF3NO
MOLECULAR WEIGHT: 368.14797
SMILES: C1=CC=C(C=C1)OC2=CC(=NC3=C2C=CC=C3Br)C(F)(F)F
Structure:
CAS RN: 588702-80-1
CAS Name: 2,3-dihydrobenzofuran-5-carboxylic acid methyl ester
OPENEYE Name: methyl 2,3-dihydrobenzofuran-5-carboxylate
IUPAC Name: methyl 2,3-dihydro-1-benzofuran-5-carboxylate
SYSTEMATIC NAME: methyl 2,3-dihydro-1-benzofuran-5-carboxylate
MOLECULAR FORMULA: C10H10O3
MOLECULAR WEIGHT: 178.1846
SMILES: COC(=O)C1=CC2=C(C=C1)OCC2
Structure:
CAS RN: 5241-50-9
CAS Name: N-(2-methoxyphenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine
OPENEYE Name: N-(2-methoxyphenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine
IUPAC Name: N-(2-methoxyphenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine
SYSTEMATIC NAME: N-(2-methoxyphenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine
MOLECULAR FORMULA: C13H10N4O4
MOLECULAR WEIGHT: 286.2429
SMILES: COC1=CC=CC=C1NC2=CC=C(C3=NON=C23)[N+](=O)[O-]
Structure:
CAS RN: 4763-32-0
CAS Name: 5-(2,3-dihydrobenzofuran-5-yl)-1H-pyrazole
OPENEYE Name: 5-(2,3-dihydrobenzofuran-5-yl)-1H-pyrazole
IUPAC Name: 5-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazole
SYSTEMATIC NAME: 5-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazole
MOLECULAR FORMULA: C11H10N2O
MOLECULAR WEIGHT: 186.2099
SMILES: C1COC2=C1C=C(C=C2)C3=CC=NN3
Structure:
CAS RN: 68892-07-9
CAS Name: 3-methyl-2-sulfanylidene-1H-imidazole-4-carboxylic acid methyl ester
OPENEYE Name: methyl 3-methyl-2-thioxo-1H-imidazole-4-carboxylate
IUPAC Name: methyl 3-methyl-2-sulfanylidene-1H-imidazole-4-carboxylate
SYSTEMATIC NAME: methyl 3-methyl-2-sulfanylidene-1H-imidazole-4-carboxylate
MOLECULAR FORMULA: C6H8N2O2S
MOLECULAR WEIGHT: 172.20492
SMILES: CN1C(=CNC1=S)C(=O)OC
Structure:
CAS RN: 111042-89-8
CAS Name: 3-amino-2-thieno[2,3-b]pyridinecarboxylic acid methyl ester
OPENEYE Name: methyl 3-aminothieno[2,3-b]pyridine-2-carboxylate
IUPAC Name: methyl 3-aminothieno[2,3-b]pyridine-2-carboxylate
SYSTEMATIC NAME: methyl 3-azanylthieno[2,3-b]pyridine-2-carboxylate
MOLECULAR FORMULA: C9H8N2O2S
MOLECULAR WEIGHT: 208.23702
SMILES: COC(=O)C1=C(C2=C(S1)N=CC=C2)N
Structure:
CAS RN: 34859-65-9
CAS Name: 5-amino-3-methyl-4-isothiazolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 5-amino-3-methyl-isothiazole-4-carboxylate
IUPAC Name: ethyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate
SYSTEMATIC NAME: ethyl 5-azanyl-3-methyl-1,2-thiazole-4-carboxylate
MOLECULAR FORMULA: C7H10N2O2S
MOLECULAR WEIGHT: 186.2315
SMILES: CCOC(=O)C1=C(SN=C1C)N
Structure:
CAS RN: 4762-39-4
CAS Name: 4-[5-[(4-bromo-3,5-dimethyl-1-pyrazolyl)sulfonyl]-2-thiophenyl]-2-(methylthio)pyrimidine
OPENEYE Name: 4-[5-(4-bromo-3,5-dimethyl-pyrazol-1-yl)sulfonyl-2-thienyl]-2-methylsulfanyl-pyrimidine
IUPAC Name: 4-[5-(4-bromo-3,5-dimethylpyrazol-1-yl)sulfonylthiophen-2-yl]-2-methylsulfanylpyrimidine
SYSTEMATIC NAME: 4-[5-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)sulfonylthiophen-2-yl]-2-methylsulfanyl-pyrimidine
MOLECULAR FORMULA: C14H13BrN4O2S3
MOLECULAR WEIGHT: 445.37762
SMILES: CC1=C(C(=NN1S(=O)(=O)C2=CC=C(S2)C3=NC(=NC=C3)SC)C)Br
Structure:
CAS RN: 175202-58-1
CAS Name: 3,4-dimethylthieno[2,3-b]thiophene
OPENEYE Name: 3,4-dimethylthieno[2,3-b]thiophene
IUPAC Name: 3,4-dimethylthieno[2,3-b]thiophene
SYSTEMATIC NAME: 3,4-dimethylthieno[2,3-b]thiophene
MOLECULAR FORMULA: C8H8S2
MOLECULAR WEIGHT: 168.27912
SMILES: CC1=CSC2=C1C(=CS2)C
Structure:
CAS RN: 4761-87-9
CAS Name: 1-(3-chloro-4-propan-2-ylsulfonyl-2-thiophenyl)-3-[3-(trifluoromethyl)phenyl]urea
OPENEYE Name: 1-(3-chloro-4-isopropylsulfonyl-2-thienyl)-3-[3-(trifluoromethyl)phenyl]urea
IUPAC Name: 1-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
SYSTEMATIC NAME: 1-(3-chloranyl-4-propan-2-ylsulfonyl-thiophen-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
MOLECULAR FORMULA: C15H14ClF3N2O3S2
MOLECULAR WEIGHT: 426.86147
SMILES: CC(C)S(=O)(=O)C1=CSC(=C1Cl)NC(=O)NC2=CC=CC(=C2)C(F)(F)F
Structure:
CAS RN: 73387-51-6
CAS Name: 3-(4-bromophenyl)-1-methylpyrazole
OPENEYE Name: 3-(4-bromophenyl)-1-methyl-pyrazole
IUPAC Name: 3-(4-bromophenyl)-1-methylpyrazole
SYSTEMATIC NAME: 3-(4-bromophenyl)-1-methyl-pyrazole
MOLECULAR FORMULA: C10H9BrN2
MOLECULAR WEIGHT: 237.09586
SMILES: CN1C=CC(=N1)C2=CC=C(C=C2)Br
Structure:
CAS RN: 4760-61-6
CAS Name: 1-(4-chlorophenyl)-3-(5-cyclopropyl-2-phenyl-3-pyrazolyl)urea
OPENEYE Name: 1-(4-chlorophenyl)-3-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)urea
IUPAC Name: 1-(4-chlorophenyl)-3-(5-cyclopropyl-2-phenylpyrazol-3-yl)urea
SYSTEMATIC NAME: 1-(4-chlorophenyl)-3-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)urea
MOLECULAR FORMULA: C19H17ClN4O
MOLECULAR WEIGHT: 352.81748
SMILES: C1CC1C2=NN(C(=C2)NC(=O)NC3=CC=C(C=C3)Cl)C4=CC=CC=C4
Structure:
CAS RN: 5790-45-4
CAS Name: 2,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
OPENEYE Name: 2,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
IUPAC Name: 2,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SYSTEMATIC NAME: 2,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
MOLECULAR FORMULA: C18H13N3O
MOLECULAR WEIGHT: 287.31532
SMILES: C1=CC=C(C=C1)C2=CC3=NC(=CC(=O)N3N2)C4=CC=CC=C4
Structure:
CAS RN: 16167-63-8
CAS Name: 1-(4-fluorophenyl)-3-[(4-methoxyphenyl)methylideneamino]thiourea
OPENEYE Name: 1-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyleneamino]thiourea
IUPAC Name: 1-(4-fluorophenyl)-3-[(4-methoxyphenyl)methylideneamino]thiourea
SYSTEMATIC NAME: 1-(4-fluorophenyl)-3-[(4-methoxyphenyl)methylideneamino]thiourea
MOLECULAR FORMULA: C15H14FN3OS
MOLECULAR WEIGHT: 303.354563
SMILES: COC1=CC=C(C=C1)C=NNC(=S)NC2=CC=C(C=C2)F
Structure:
CAS RN: 59104-31-3
CAS Name: 1,3-bis(3,5-dimethylphenyl)thiourea
OPENEYE Name: 1,3-bis(3,5-dimethylphenyl)thiourea
IUPAC Name: 1,3-bis(3,5-dimethylphenyl)thiourea
SYSTEMATIC NAME: 1,3-bis(3,5-dimethylphenyl)thiourea
MOLECULAR FORMULA: C17H20N2S
MOLECULAR WEIGHT: 284.4191
SMILES: CC1=CC(=CC(=C1)NC(=S)NC2=CC(=CC(=C2)C)C)C
Structure:
CAS RN: 144783-46-0
CAS Name: 1-[4-(4-morpholinyl)-3-nitrophenyl]ethanone
OPENEYE Name: 1-(4-morpholino-3-nitro-phenyl)ethanone
IUPAC Name: 1-(4-morpholin-4-yl-3-nitrophenyl)ethanone
SYSTEMATIC NAME: 1-(4-morpholin-4-yl-3-nitro-phenyl)ethanone
MOLECULAR FORMULA: C12H14N2O4
MOLECULAR WEIGHT: 250.25056
SMILES: CC(=O)C1=CC(=C(C=C1)N2CCOCC2)[N+](=O)[O-]
Structure:
CAS RN: 54034-38-7
CAS Name: 2-methyl-5-phenyl-1H-1,2,4-triazol-3-one
OPENEYE Name: 2-methyl-5-phenyl-1H-1,2,4-triazol-3-one
IUPAC Name: 2-methyl-5-phenyl-1H-1,2,4-triazol-3-one
SYSTEMATIC NAME: 2-methyl-5-phenyl-1H-1,2,4-triazol-3-one
MOLECULAR FORMULA: C9H9N3O
MOLECULAR WEIGHT: 175.18726
SMILES: CN1C(=O)N=C(N1)C2=CC=CC=C2
Structure:
CAS RN: 1215-07-2
CAS Name: [(Z)-2-nitro-2-phenylethenyl]benzene
OPENEYE Name: [(Z)-2-nitro-2-phenyl-vinyl]benzene
IUPAC Name: [(Z)-2-nitro-2-phenylethenyl]benzene
SYSTEMATIC NAME: [(Z)-2-nitro-2-phenyl-ethenyl]benzene
MOLECULAR FORMULA: C14H11NO2
MOLECULAR WEIGHT: 225.24264
SMILES: C1=CC=C(C=C1)/C=C(/C2=CC=CC=C2)\[N+](=O)[O-]
Structure:
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