CAS RN: 54370-00-2
CAS Name: (2-bromo-4,5-dimethoxyphenyl)methanol
OPENEYE Name: (2-bromo-4,5-dimethoxy-phenyl)methanol
IUPAC Name: (2-bromo-4,5-dimethoxyphenyl)methanol
SYSTEMATIC NAME: (2-bromanyl-4,5-dimethoxy-phenyl)methanol
MOLECULAR FORMULA: C9H11BrO3
MOLECULAR WEIGHT: 247.08584
SMILES: COC1=C(C=C(C(=C1)CO)Br)OC
Structure:
CAS RN: 38605-72-0
CAS Name: 1-chloro-9-thioxanthenone
OPENEYE Name: 1-chlorothioxanthen-9-one
IUPAC Name: 1-chlorothioxanthen-9-one
SYSTEMATIC NAME: 1-chloranylthioxanthen-9-one
MOLECULAR FORMULA: C13H7ClOS
MOLECULAR WEIGHT: 246.71208
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC=C3Cl
Structure:
CAS RN: 86-39-5
CAS Name: 2-chloro-9-thioxanthenone
OPENEYE Name: 2-chlorothioxanthen-9-one
IUPAC Name: 2-chlorothioxanthen-9-one
SYSTEMATIC NAME: 2-chloranylthioxanthen-9-one
MOLECULAR FORMULA: C13H7ClOS
MOLECULAR WEIGHT: 246.71208
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)Cl
Structure:
CAS RN: 57652-74-1
CAS Name: 3,4-dihydro-2H-benzo[a]anthracen-1-one
OPENEYE Name: 3,4-dihydro-2H-benzo[a]anthracen-1-one
IUPAC Name: 3,4-dihydro-2H-benzo[a]anthracen-1-one
SYSTEMATIC NAME: 3,4-dihydro-2H-benzo[a]anthracen-1-one
MOLECULAR FORMULA: C18H14O
MOLECULAR WEIGHT: 246.30316
SMILES: C1CC2=C(C(=O)C1)C3=CC4=CC=CC=C4C=C3C=C2
Structure:
CAS RN: 35290-97-2
CAS Name: 4-amino-5-bromo-2-methoxybenzoic acid
OPENEYE Name: 4-amino-5-bromo-2-methoxy-benzoic acid
IUPAC Name: 4-amino-5-bromo-2-methoxybenzoic acid
SYSTEMATIC NAME: 4-azanyl-5-bromanyl-2-methoxy-benzoic acid
MOLECULAR FORMULA: C8H8BrNO3
MOLECULAR WEIGHT: 246.05802
SMILES: COC1=CC(=C(C=C1C(=O)O)Br)N
Structure:
CAS RN: 3137-63-1
CAS Name: 4-chloro-2-(trichloromethyl)quinazoline
OPENEYE Name: 4-chloro-2-(trichloromethyl)quinazoline
IUPAC Name: 4-chloro-2-(trichloromethyl)quinazoline
SYSTEMATIC NAME: 4-chloranyl-2-(trichloromethyl)quinazoline
MOLECULAR FORMULA: C9H4Cl4N2
MOLECULAR WEIGHT: 281.95346
SMILES: C1=CC=C2C(=C1)C(=NC(=N2)C(Cl)(Cl)Cl)Cl
Structure:
CAS RN: 16634-88-1
CAS Name: 5-bromo-2-hydroxy-3-nitrobenzaldehyde
OPENEYE Name: 5-bromo-2-hydroxy-3-nitro-benzaldehyde
IUPAC Name: 5-bromo-2-hydroxy-3-nitrobenzaldehyde
SYSTEMATIC NAME: 5-bromanyl-3-nitro-2-oxidanyl-benzaldehyde
MOLECULAR FORMULA: C7H4BrNO4
MOLECULAR WEIGHT: 246.01496
SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)C=O)Br
Structure:
CAS RN: 1998-66-9
CAS Name: 4-bromo-2,3,5,6-tetrafluoroaniline
OPENEYE Name: 4-bromo-2,3,5,6-tetrafluoro-aniline
IUPAC Name: 4-bromo-2,3,5,6-tetrafluoroaniline
SYSTEMATIC NAME: 4-bromanyl-2,3,5,6-tetrakis(fluoranyl)aniline
MOLECULAR FORMULA: C6H2BrF4N
MOLECULAR WEIGHT: 243.984393
SMILES: C1(=C(C(=C(C(=C1F)F)Br)F)F)N
Structure:
CAS RN: 77726-64-8
CAS Name: 4-amino-3-(methylthio)-5-thieno[2,3-c]isothiazolecarboxamide
OPENEYE Name: 4-amino-3-methylsulfanyl-thieno[2,3-c]isothiazole-5-carboxamide
IUPAC Name: 4-amino-3-methylsulfanylthieno[2,3-c][1,2]thiazole-5-carboxamide
SYSTEMATIC NAME: 4-azanyl-3-methylsulfanyl-thieno[2,3-c][1,2]thiazole-5-carboxamide
MOLECULAR FORMULA: C7H7N3OS3
MOLECULAR WEIGHT: 245.34498
SMILES: CSC1=C2C(=C(SC2=NS1)C(=O)N)N
Structure:
CAS RN: 91397-03-4
CAS Name: 4-isothiocyanato-1,5-dimethyl-2-phenyl-3-pyrazolone
OPENEYE Name: 4-isothiocyanato-1,5-dimethyl-2-phenyl-pyrazol-3-one
IUPAC Name: 4-isothiocyanato-1,5-dimethyl-2-phenylpyrazol-3-one
SYSTEMATIC NAME: 4-isothiocyanato-1,5-dimethyl-2-phenyl-pyrazol-3-one
MOLECULAR FORMULA: C12H11N3OS
MOLECULAR WEIGHT: 245.30024
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C=S
Structure:
CAS RN: 35871-17-1
CAS Name: 4-chloro-2-(trichloromethyl)quinoline
OPENEYE Name: 4-chloro-2-(trichloromethyl)quinoline
IUPAC Name: 4-chloro-2-(trichloromethyl)quinoline
SYSTEMATIC NAME: 4-chloranyl-2-(trichloromethyl)quinoline
MOLECULAR FORMULA: C10H5Cl4N
MOLECULAR WEIGHT: 280.9654
SMILES: C1=CC=C2C(=C1)C(=CC(=N2)C(Cl)(Cl)Cl)Cl
Structure:
CAS RN: 39893-80-6
CAS Name: 4-(3,4-dichlorophenyl)-2-thiazolamine
OPENEYE Name: 4-(3,4-dichlorophenyl)thiazol-2-amine
IUPAC Name: 4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine
SYSTEMATIC NAME: 4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine
MOLECULAR FORMULA: C9H6Cl2N2S
MOLECULAR WEIGHT: 245.12834
SMILES: C1=CC(=C(C=C1C2=CSC(=N2)N)Cl)Cl
Structure:
CAS RN: 5695-15-8
CAS Name: 1-[4-(2,4-dichlorophenyl)-2-thiazolyl]-3-phenylurea
OPENEYE Name: 1-[4-(2,4-dichlorophenyl)thiazol-2-yl]-3-phenyl-urea
IUPAC Name: 1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-phenylurea
SYSTEMATIC NAME: 1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-phenyl-urea
MOLECULAR FORMULA: C16H11Cl2N3OS
MOLECULAR WEIGHT: 364.24904
SMILES: C1=CC=C(C=C1)NC(=O)NC2=NC(=CS2)C3=C(C=C(C=C3)Cl)Cl
Structure:
CAS RN: 202865-57-4
CAS Name: 1-bromo-2,5-dichloro-3-fluorobenzene
OPENEYE Name: 1-bromo-2,5-dichloro-3-fluoro-benzene
IUPAC Name: 1-bromo-2,5-dichloro-3-fluorobenzene
SYSTEMATIC NAME: 1-bromanyl-2,5-bis(chloranyl)-3-fluoranyl-benzene
MOLECULAR FORMULA: C6H2BrCl2F
MOLECULAR WEIGHT: 243.888483
SMILES: C1=C(C=C(C(=C1Br)Cl)F)Cl
Structure:
CAS RN: 3781-67-7
CAS Name: 10-methylbenzo[a]acridine
OPENEYE Name: 10-methylbenzo[a]acridine
IUPAC Name: 10-methylbenzo[a]acridine
SYSTEMATIC NAME: 10-methylbenzo[a]acridine
MOLECULAR FORMULA: C18H13N
MOLECULAR WEIGHT: 243.30252
SMILES: CC1=CC2=CC3=C(C=CC4=CC=CC=C43)N=C2C=C1
Structure:
CAS RN: 74575-17-0
CAS Name: 3-bromo-4-chloroquinoline
OPENEYE Name: 3-bromo-4-chloro-quinoline
IUPAC Name: 3-bromo-4-chloroquinoline
SYSTEMATIC NAME: 3-bromanyl-4-chloranyl-quinoline
MOLECULAR FORMULA: C9H5BrClN
MOLECULAR WEIGHT: 242.4997
SMILES: C1=CC=C2C(=C1)C(=C(C=N2)Br)Cl
Structure:
CAS RN: 7781-26-2
CAS Name: 5-bromo-4,6-dichloro-2-pyrimidinamine
OPENEYE Name: 5-bromo-4,6-dichloro-pyrimidin-2-amine
IUPAC Name: 5-bromo-4,6-dichloropyrimidin-2-amine
SYSTEMATIC NAME: 5-bromanyl-4,6-bis(chloranyl)pyrimidin-2-amine
MOLECULAR FORMULA: C4H2BrCl2N3
MOLECULAR WEIGHT: 242.88878
SMILES: C1(=C(N=C(N=C1Cl)N)Cl)Br
Structure:
CAS RN: 67478-50-6
CAS Name: 1-(triphenylmethyl)-2-imidazolecarboxaldehyde
OPENEYE Name: 1-tritylimidazole-2-carbaldehyde
IUPAC Name: 1-tritylimidazole-2-carbaldehyde
SYSTEMATIC NAME: 1-(triphenylmethyl)imidazole-2-carbaldehyde
MOLECULAR FORMULA: C23H18N2O
MOLECULAR WEIGHT: 338.40182
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=CN=C4C=O
Structure:
CAS RN: 96797-15-8
CAS Name: 4-iodo-1-(triphenylmethyl)imidazole
OPENEYE Name: 4-iodo-1-trityl-imidazole
IUPAC Name: 4-iodo-1-tritylimidazole
SYSTEMATIC NAME: 4-iodanyl-1-(triphenylmethyl)imidazole
MOLECULAR FORMULA: C22H17IN2
MOLECULAR WEIGHT: 436.28825
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(N=C4)I
Structure:
CAS RN: 67478-46-0
CAS Name: 2-iodo-1-(triphenylmethyl)imidazole
OPENEYE Name: 2-iodo-1-trityl-imidazole
IUPAC Name: 2-iodo-1-tritylimidazole
SYSTEMATIC NAME: 2-iodanyl-1-(triphenylmethyl)imidazole
MOLECULAR FORMULA: C22H17IN2
MOLECULAR WEIGHT: 436.28825
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=CN=C4I
Structure:
CAS RN: 33016-47-6
CAS Name: 1-(triphenylmethyl)-4-imidazolecarboxaldehyde
OPENEYE Name: 1-tritylimidazole-4-carbaldehyde
IUPAC Name: 1-tritylimidazole-4-carbaldehyde
SYSTEMATIC NAME: 1-(triphenylmethyl)imidazole-4-carbaldehyde
MOLECULAR FORMULA: C23H18N2O
MOLECULAR WEIGHT: 338.40182
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(N=C4)C=O
Structure:
CAS RN: 15469-97-3
CAS Name: 1-(triphenylmethyl)imidazole
OPENEYE Name: 1-tritylimidazole
IUPAC Name: 1-tritylimidazole
SYSTEMATIC NAME: 1-(triphenylmethyl)imidazole
MOLECULAR FORMULA: C22H18N2
MOLECULAR WEIGHT: 310.39172
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=CN=C4
Structure:
CAS RN: 41192-84-1
CAS Name: 8-methoxy-2-(trifluoromethyl)-1H-quinolin-4-one
OPENEYE Name: 8-methoxy-2-(trifluoromethyl)-1H-quinolin-4-one
IUPAC Name: 8-methoxy-2-(trifluoromethyl)-1H-quinolin-4-one
SYSTEMATIC NAME: 8-methoxy-2-(trifluoromethyl)-1H-quinolin-4-one
MOLECULAR FORMULA: C11H8F3NO2
MOLECULAR WEIGHT: 243.18193
SMILES: COC1=CC=CC2=C1NC(=CC2=O)C(F)(F)F
Structure:
CAS RN: 1705-84-6
CAS Name: 2-methyltriphenylene
OPENEYE Name: 2-methyltriphenylene
IUPAC Name: 2-methyltriphenylene
SYSTEMATIC NAME: 2-methyltriphenylene
MOLECULAR FORMULA: C19H14
MOLECULAR WEIGHT: 242.31446
SMILES: CC1=CC2=C(C=C1)C3=CC=CC=C3C4=CC=CC=C42
Structure:
CAS RN: 40478-82-8
CAS Name: 2-methoxy-9-thioxanthenone
OPENEYE Name: 2-methoxythioxanthen-9-one
IUPAC Name: 2-methoxythioxanthen-9-one
SYSTEMATIC NAME: 2-methoxythioxanthen-9-one
MOLECULAR FORMULA: C14H10O2S
MOLECULAR WEIGHT: 242.293
SMILES: COC1=CC2=C(C=C1)SC3=CC=CC=C3C2=O
Structure:
CAS RN: 87125-93-7
CAS Name: 2-[(4-methyl-2-pyrimidinyl)thio]-2-phenylacetic acid
OPENEYE Name: 2-(4-methylpyrimidin-2-yl)sulfanyl-2-phenyl-acetic acid
IUPAC Name: 2-(4-methylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid
SYSTEMATIC NAME: 2-(4-methylpyrimidin-2-yl)sulfanyl-2-phenyl-ethanoic acid
MOLECULAR FORMULA: C13H12N2O2S
MOLECULAR WEIGHT: 260.31158
SMILES: CC1=NC(=NC=C1)SC(C2=CC=CC=C2)C(=O)O
Structure:
CAS RN: 5753-16-2
CAS Name: 1-(4-bromophenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea
OPENEYE Name: 1-(4-bromophenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea
IUPAC Name: 1-(4-bromophenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea
SYSTEMATIC NAME: 1-(4-bromophenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea
MOLECULAR FORMULA: C16H17BrN2O3
MOLECULAR WEIGHT: 365.22178
SMILES: COC1=CC=C(C=C1)OCCNC(=O)NC2=CC=C(C=C2)Br
Structure:
CAS RN: 1423-63-8
CAS Name: 1-(5-bromo-1-benzothiophen-3-yl)ethanone
OPENEYE Name: 1-(5-bromobenzothiophen-3-yl)ethanone
IUPAC Name: 1-(5-bromo-1-benzothiophen-3-yl)ethanone
SYSTEMATIC NAME: 1-(5-bromanyl-1-benzothiophen-3-yl)ethanone
MOLECULAR FORMULA: C10H7BrOS
MOLECULAR WEIGHT: 255.13098
SMILES: CC(=O)C1=CSC2=C1C=C(C=C2)Br
Structure:
CAS RN: 206761-68-4
CAS Name: 2-isothiocyanato-1-methoxy-4-phenylbenzene
OPENEYE Name: 2-isothiocyanato-1-methoxy-4-phenyl-benzene
IUPAC Name: 2-isothiocyanato-1-methoxy-4-phenylbenzene
SYSTEMATIC NAME: 2-isothiocyanato-1-methoxy-4-phenyl-benzene
MOLECULAR FORMULA: C14H11NOS
MOLECULAR WEIGHT: 241.30824
SMILES: COC1=C(C=C(C=C1)C2=CC=CC=C2)N=C=S
Structure:
CAS RN: 1568-83-8
CAS Name: 1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene
OPENEYE Name: 1-methoxy-4-[1-(4-methoxyphenyl)-1-methyl-ethyl]benzene
IUPAC Name: 1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene
SYSTEMATIC NAME: 1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene
MOLECULAR FORMULA: C17H20O2
MOLECULAR WEIGHT: 256.3395
SMILES: CC(C)(C1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC
Structure:
CAS RN: 52130-34-4
CAS Name: 5-(3,4-dichlorophenyl)-2-furancarboxaldehyde
OPENEYE Name: 5-(3,4-dichlorophenyl)furan-2-carbaldehyde
IUPAC Name: 5-(3,4-dichlorophenyl)furan-2-carbaldehyde
SYSTEMATIC NAME: 5-(3,4-dichlorophenyl)furan-2-carbaldehyde
MOLECULAR FORMULA: C11H6Cl2O2
MOLECULAR WEIGHT: 241.07014
SMILES: C1=CC(=C(C=C1C2=CC=C(O2)C=O)Cl)Cl
Structure:
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