CAS RN: 1736-71-6
CAS Name: [2-(trifluoromethyl)phenyl]thiourea
OPENEYE Name: [2-(trifluoromethyl)phenyl]thiourea
IUPAC Name: [2-(trifluoromethyl)phenyl]thiourea
SYSTEMATIC NAME: 1-[2-(trifluoromethyl)phenyl]thiourea
MOLECULAR FORMULA: C8H7F3N2S
MOLECULAR WEIGHT: 220.21479
SMILES: C1=CC=C(C(=C1)C(F)(F)F)NC(=S)N
Structure:
CAS RN: 17448-84-9
CAS Name: [2-(trifluoromethyl)phenyl]thiourea
OPENEYE Name: [2-(trifluoromethyl)phenyl]thiourea
IUPAC Name: [2-(trifluoromethyl)phenyl]thiourea
SYSTEMATIC NAME: 1-[2-(trifluoromethyl)phenyl]thiourea
MOLECULAR FORMULA: C8H7F3N2S
MOLECULAR WEIGHT: 220.21479
SMILES: C1=CC=C(C(=C1)C(F)(F)F)NC(=S)N
Structure:
CAS RN: 199682-73-0
CAS Name: 5-(4-methoxyphenyl)-1H-pyrazole-4-carboxaldehyde
OPENEYE Name: 5-(4-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
IUPAC Name: 5-(4-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
SYSTEMATIC NAME: 5-(4-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
MOLECULAR FORMULA: C11H10N2O2
MOLECULAR WEIGHT: 202.2093
SMILES: COC1=CC=C(C=C1)C2=C(C=NN2)C=O
Structure:
CAS RN: 22179-72-2
CAS Name: 4-fluorobenzenecarbothioamide
OPENEYE Name: 4-fluorobenzenecarbothioamide
IUPAC Name: 4-fluorobenzenecarbothioamide
SYSTEMATIC NAME: 4-fluoranylbenzenecarbothioamide
MOLECULAR FORMULA: C7H6FNS
MOLECULAR WEIGHT: 155.192643
SMILES: C1=CC(=CC=C1C(=S)N)F
Structure:
CAS RN: 36764-94-0
CAS Name: 2-amino-3,5-dichlorobenzonitrile
OPENEYE Name: 2-amino-3,5-dichloro-benzonitrile
IUPAC Name: 2-amino-3,5-dichlorobenzonitrile
SYSTEMATIC NAME: 2-azanyl-3,5-bis(chloranyl)benzenecarbonitrile
MOLECULAR FORMULA: C7H4Cl2N2
MOLECULAR WEIGHT: 187.02606
SMILES: C1=C(C=C(C(=C1Cl)N)C#N)Cl
Structure:
CAS RN: 71757-14-7
CAS Name: 2,4-dibromo-6-(trifluoromethyl)aniline
OPENEYE Name: 2,4-dibromo-6-(trifluoromethyl)aniline
IUPAC Name: 2,4-dibromo-6-(trifluoromethyl)aniline
SYSTEMATIC NAME: 2,4-bis(bromanyl)-6-(trifluoromethyl)aniline
MOLECULAR FORMULA: C7H4Br2F3N
MOLECULAR WEIGHT: 318.91657
SMILES: C1=C(C=C(C(=C1Br)N)C(F)(F)F)Br
Structure:
CAS RN: 37800-98-9
CAS Name: 1-(4-chlorophenyl)-2-pyrrolecarboxaldehyde
OPENEYE Name: 1-(4-chlorophenyl)pyrrole-2-carbaldehyde
IUPAC Name: 1-(4-chlorophenyl)pyrrole-2-carbaldehyde
SYSTEMATIC NAME: 1-(4-chlorophenyl)pyrrole-2-carbaldehyde
MOLECULAR FORMULA: C11H8ClNO
MOLECULAR WEIGHT: 205.64032
SMILES: C1=CN(C(=C1)C=O)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 2362-62-1
CAS Name: 4-methylbenzenecarbothioamide
OPENEYE Name: 4-methylbenzenecarbothioamide
IUPAC Name: 4-methylbenzenecarbothioamide
SYSTEMATIC NAME: 4-methylbenzenecarbothioamide
MOLECULAR FORMULA: C8H9NS
MOLECULAR WEIGHT: 151.22876
SMILES: CC1=CC=C(C=C1)C(=S)N
Structure:
CAS RN: 16357-69-0
CAS Name: 4-amino-5-pyrimidinecarbonitrile
OPENEYE Name: 4-aminopyrimidine-5-carbonitrile
IUPAC Name: 4-aminopyrimidine-5-carbonitrile
SYSTEMATIC NAME: 4-azanylpyrimidine-5-carbonitrile
MOLECULAR FORMULA: C5H4N4
MOLECULAR WEIGHT: 120.11206
SMILES: C1=C(C(=NC=N1)N)C#N
Structure:
CAS RN: 141459-53-2
CAS Name: 2-tert-butyl-5-methyl-3-pyrazolamine
OPENEYE Name: 2-tert-butyl-5-methyl-pyrazol-3-amine
IUPAC Name: 2-tert-butyl-5-methylpyrazol-3-amine
SYSTEMATIC NAME: 2-tert-butyl-5-methyl-pyrazol-3-amine
MOLECULAR FORMULA: C8H15N3
MOLECULAR WEIGHT: 153.2248
SMILES: CC1=NN(C(=C1)N)C(C)(C)C
Structure:
CAS RN: 105799-69-7
CAS Name: 4-chloro-6-fluoro-2H-1-benzopyran-3-carboxaldehyde
OPENEYE Name: 4-chloro-6-fluoro-2H-chromene-3-carbaldehyde
IUPAC Name: 4-chloro-6-fluoro-2H-chromene-3-carbaldehyde
SYSTEMATIC NAME: 4-chloranyl-6-fluoranyl-2H-chromene-3-carbaldehyde
MOLECULAR FORMULA: C10H6ClFO2
MOLECULAR WEIGHT: 212.604843
SMILES: C1C(=C(C2=C(O1)C=CC(=C2)F)Cl)C=O
Structure:
CAS RN: 51011-54-2
CAS Name: (6-chloro-1,3-benzothiazol-2-yl)hydrazine
OPENEYE Name: (6-chloro-1,3-benzothiazol-2-yl)hydrazine
IUPAC Name: (6-chloro-1,3-benzothiazol-2-yl)hydrazine
SYSTEMATIC NAME: (6-chloranyl-1,3-benzothiazol-2-yl)diazane
MOLECULAR FORMULA: C7H6ClN3S
MOLECULAR WEIGHT: 199.66064
SMILES: C1=CC2=C(C=C1Cl)SC(=N2)NN
Structure:
CAS RN: 109919-26-8
CAS Name: 2-bromo-6-chloro-4-(trifluoromethyl)aniline
OPENEYE Name: 2-bromo-6-chloro-4-(trifluoromethyl)aniline
IUPAC Name: 2-bromo-6-chloro-4-(trifluoromethyl)aniline
SYSTEMATIC NAME: 2-bromanyl-6-chloranyl-4-(trifluoromethyl)aniline
MOLECULAR FORMULA: C7H4BrClF3N
MOLECULAR WEIGHT: 274.46557
SMILES: C1=C(C=C(C(=C1Cl)N)Br)C(F)(F)F
Structure:
CAS RN: 7101-89-5
CAS Name: 5-pyridin-4-yloxazole
OPENEYE Name: 5-(4-pyridyl)oxazole
IUPAC Name: 5-pyridin-4-yl-1,3-oxazole
SYSTEMATIC NAME: 5-pyridin-4-yl-1,3-oxazole
MOLECULAR FORMULA: C8H6N2O
MOLECULAR WEIGHT: 146.14604
SMILES: C1=CN=CC=C1C2=CN=CO2
Structure:
CAS RN: 12295-17-9
CAS Name: 1,2-dimethoxy-4-[(Z)-2-nitroprop-1-enyl]benzene
OPENEYE Name: 1,2-dimethoxy-4-[(Z)-2-nitroprop-1-enyl]benzene
IUPAC Name: 1,2-dimethoxy-4-[(Z)-2-nitroprop-1-enyl]benzene
SYSTEMATIC NAME: 1,2-dimethoxy-4-[(Z)-2-nitroprop-1-enyl]benzene
MOLECULAR FORMULA: C11H13NO4
MOLECULAR WEIGHT: 223.22522
SMILES: C/C(=C/C1=CC(=C(C=C1)OC)OC)/[N+](=O)[O-]
Structure:
CAS RN: 19785-39-8
CAS Name: 2-(4-methyl-2-thiazolyl)acetonitrile
OPENEYE Name: 2-(4-methylthiazol-2-yl)acetonitrile
IUPAC Name: 2-(4-methyl-1,3-thiazol-2-yl)acetonitrile
SYSTEMATIC NAME: 2-(4-methyl-1,3-thiazol-2-yl)ethanenitrile
MOLECULAR FORMULA: C6H6N2S
MOLECULAR WEIGHT: 138.19024
SMILES: CC1=CSC(=N1)CC#N
Structure:
CAS RN: 96606-37-0
CAS Name: 2,4,6-trifluorobenzonitrile
OPENEYE Name: 2,4,6-trifluorobenzonitrile
IUPAC Name: 2,4,6-trifluorobenzonitrile
SYSTEMATIC NAME: 2,4,6-tris(fluoranyl)benzenecarbonitrile
MOLECULAR FORMULA: C7H2F3N
MOLECULAR WEIGHT: 157.09269
SMILES: C1=C(C=C(C(=C1F)C#N)F)F
Structure:
CAS RN: 159689-88-0
CAS Name: 1-(bromomethyl)-3-(trifluoromethoxy)benzene
OPENEYE Name: 1-(bromomethyl)-3-(trifluoromethoxy)benzene
IUPAC Name: 1-(bromomethyl)-3-(trifluoromethoxy)benzene
SYSTEMATIC NAME: 1-(bromomethyl)-3-(trifluoromethyloxy)benzene
MOLECULAR FORMULA: C8H6BrF3O
MOLECULAR WEIGHT: 255.03185
SMILES: C1=CC(=CC(=C1)OC(F)(F)F)CBr
Structure:
CAS RN: 110877-64-0
CAS Name: 2-chloro-4,5-difluorobenzoic acid
OPENEYE Name: 2-chloro-4,5-difluoro-benzoic acid
IUPAC Name: 2-chloro-4,5-difluorobenzoic acid
SYSTEMATIC NAME: 2-chloranyl-4,5-bis(fluoranyl)benzoic acid
MOLECULAR FORMULA: C7H3ClF2O2
MOLECULAR WEIGHT: 192.547326
SMILES: C1=C(C(=CC(=C1F)F)Cl)C(=O)O
Structure:
CAS RN: 457-79-4
CAS Name: [(1S)-1-isothiocyanatoethyl]benzene
OPENEYE Name: [(1S)-1-isothiocyanatoethyl]benzene
IUPAC Name: [(1S)-1-isothiocyanatoethyl]benzene
SYSTEMATIC NAME: [(1S)-1-isothiocyanatoethyl]benzene
MOLECULAR FORMULA: C9H9NS
MOLECULAR WEIGHT: 163.23946
SMILES: C[C@@H](C1=CC=CC=C1)N=C=S
Structure:
CAS RN: 24277-43-8
CAS Name: [(1S)-1-isothiocyanatoethyl]benzene
OPENEYE Name: [(1S)-1-isothiocyanatoethyl]benzene
IUPAC Name: [(1S)-1-isothiocyanatoethyl]benzene
SYSTEMATIC NAME: [(1S)-1-isothiocyanatoethyl]benzene
MOLECULAR FORMULA: C9H9NS
MOLECULAR WEIGHT: 163.23946
SMILES: C[C@@H](C1=CC=CC=C1)N=C=S
Structure:
CAS RN: 170141-63-6
CAS Name: 1-[3-(trifluoromethoxy)phenyl]ethanone
OPENEYE Name: 1-[3-(trifluoromethoxy)phenyl]ethanone
IUPAC Name: 1-[3-(trifluoromethoxy)phenyl]ethanone
SYSTEMATIC NAME: 1-[3-(trifluoromethyloxy)phenyl]ethanone
MOLECULAR FORMULA: C9H7F3O2
MOLECULAR WEIGHT: 204.14589
SMILES: CC(=O)C1=CC(=CC=C1)OC(F)(F)F
Structure:
CAS RN: 1200-07-3
CAS Name: (E)-3-(4-bromophenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(4-bromophenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(4-bromophenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(4-bromophenyl)prop-2-enoic acid
MOLECULAR FORMULA: C9H7BrO2
MOLECULAR WEIGHT: 227.05468
SMILES: C1=CC(=CC=C1/C=C/C(=O)O)Br
Structure:
CAS RN: 50663-21-3
CAS Name: (E)-3-(4-bromophenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(4-bromophenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(4-bromophenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(4-bromophenyl)prop-2-enoic acid
MOLECULAR FORMULA: C9H7BrO2
MOLECULAR WEIGHT: 227.05468
SMILES: C1=CC(=CC=C1/C=C/C(=O)O)Br
Structure:
CAS RN: 89612-97-5
CAS Name: (E)-3-(4-nitrophenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(4-nitrophenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(4-nitrophenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(4-nitrophenyl)prop-2-enoic acid
MOLECULAR FORMULA: C9H7NO4
MOLECULAR WEIGHT: 193.15618
SMILES: C1=CC(=CC=C1/C=C/C(=O)O)[N+](=O)[O-]
Structure:
CAS RN: 619-89-6
CAS Name: (E)-3-(4-nitrophenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(4-nitrophenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(4-nitrophenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(4-nitrophenyl)prop-2-enoic acid
MOLECULAR FORMULA: C9H7NO4
MOLECULAR WEIGHT: 193.15618
SMILES: C1=CC(=CC=C1/C=C/C(=O)O)[N+](=O)[O-]
Structure:
CAS RN: 66300-61-6
CAS Name: 1,4-bis(2,2,2-trifluoroethoxy)benzene
OPENEYE Name: 1,4-bis(2,2,2-trifluoroethoxy)benzene
IUPAC Name: 1,4-bis(2,2,2-trifluoroethoxy)benzene
SYSTEMATIC NAME: 1,4-bis[2,2,2-tris(fluoranyl)ethoxy]benzene
MOLECULAR FORMULA: C10H8F6O2
MOLECULAR WEIGHT: 274.159739
SMILES: C1=CC(=CC=C1OCC(F)(F)F)OCC(F)(F)F
Structure:
CAS RN: 4621-66-3
CAS Name: 3-pyridinecarbothioamide
OPENEYE Name: pyridine-3-carbothioamide
IUPAC Name: pyridine-3-carbothioamide
SYSTEMATIC NAME: pyridine-3-carbothioamide
MOLECULAR FORMULA: C6H6N2S
MOLECULAR WEIGHT: 138.19024
SMILES: C1=CC(=CN=C1)C(=S)N
Structure:
CAS RN: 135654-16-9
CAS Name: 3-(chloromethyl)benzamide
OPENEYE Name: 3-(chloromethyl)benzamide
IUPAC Name: 3-(chloromethyl)benzamide
SYSTEMATIC NAME: 3-(chloromethyl)benzamide
MOLECULAR FORMULA: C8H8ClNO
MOLECULAR WEIGHT: 169.60822
SMILES: C1=CC(=CC(=C1)CCl)C(=O)N
Structure:
CAS RN: 5344-82-1
CAS Name: (2-chlorophenyl)thiourea
OPENEYE Name: (2-chlorophenyl)thiourea
IUPAC Name: (2-chlorophenyl)thiourea
SYSTEMATIC NAME: 1-(2-chlorophenyl)thiourea
MOLECULAR FORMULA: C7H7ClN2S
MOLECULAR WEIGHT: 186.66188
SMILES: C1=CC=C(C(=C1)NC(=S)N)Cl
Structure:
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