Product OPENEYE NAME: [5-(dimethylamino)-1,2,4-dithiazol-3-ylidene]-dimethyl-ammonium chloride
CAS Name: [5-(dimethylamino)-1,2,4-dithiazol-3-ylidene]-dimethylammonium chloride
IUPAC NAME: [5-(dimethylamino)-1,2,4-dithiazol-3-ylidene]-dimethylazanium chloride
SYSTEMATIC NAME: [5-(dimethylamino)-1,2,4-dithiazol-3-ylidene]-dimethyl-azanium chloride
MOLECULAR FORMULA: C6H12ClN3S2
MOLECULAR WEIGHT: 225.76258
SMILES: CN(C)C1=NC(=[N+](C)C)SS1.[Cl-]
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Product OPENEYE NAME: [5-(dimethylamino)-1,2,4-dithiazol-3-ylidene]-dimethyl-ammonium
CAS Name: [5-(dimethylamino)-1,2,4-dithiazol-3-ylidene]-dimethylammonium
IUPAC NAME: [5-(dimethylamino)-1,2,4-dithiazol-3-ylidene]-dimethylazanium
SYSTEMATIC NAME: [5-(dimethylamino)-1,2,4-dithiazol-3-ylidene]-dimethyl-azanium
MOLECULAR FORMULA: C6H12N3S2+
MOLECULAR WEIGHT: 190.30958
SMILES: CN(C)C1=NC(=[N+](C)C)SS1
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Product OPENEYE NAME: 2,2-dimethylpropylbenzene
CAS Name: 2,2-dimethylpropylbenzene
IUPAC NAME: 2,2-dimethylpropylbenzene
SYSTEMATIC NAME: 2,2-dimethylpropylbenzene
MOLECULAR FORMULA: C11H16
MOLECULAR WEIGHT: 148.24474
SMILES: CC(C)(C)CC1=CC=CC=C1
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Product OPENEYE NAME: 6-chloro-N2-ethyl-1,3,5-triazine-2,4-diamine
CAS Name: 6-chloro-N2-ethyl-1,3,5-triazine-2,4-diamine
IUPAC NAME: 6-chloro-2-N-ethyl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 6-chloranyl-N2-ethyl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C5H8ClN5
MOLECULAR WEIGHT: 173.60352
SMILES: CCNC1=NC(=NC(=N1)N)Cl
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Product OPENEYE NAME: 1-phenylbutan-2-one
CAS Name: 1-phenyl-2-butanone
IUPAC NAME: 1-phenylbutan-2-one
SYSTEMATIC NAME: 1-phenylbutan-2-one
MOLECULAR FORMULA: C10H12O
MOLECULAR WEIGHT: 148.20168
SMILES: CCC(=O)CC1=CC=CC=C1
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Product OPENEYE NAME: 1-methyl-3-phenyl-urea
CAS Name: 1-methyl-3-phenylurea
IUPAC NAME: 1-methyl-3-phenylurea
SYSTEMATIC NAME: 1-methyl-3-phenyl-urea
MOLECULAR FORMULA: C8H10N2O
MOLECULAR WEIGHT: 150.1778
SMILES: CNC(=O)NC1=CC=CC=C1
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Product OPENEYE NAME: 2-pyridylmethyl acetate
CAS Name: acetic acid 2-pyridinylmethyl ester
IUPAC NAME: pyridin-2-ylmethyl acetate
SYSTEMATIC NAME: pyridin-2-ylmethyl ethanoate
MOLECULAR FORMULA: C8H9NO2
MOLECULAR WEIGHT: 151.16256
SMILES: CC(=O)OCC1=CC=CC=N1
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Product OPENEYE NAME: 2-(2-chloroacetyl)benzonitrile
CAS Name: 2-(2-chloro-1-oxoethyl)benzonitrile
IUPAC NAME: 2-(2-chloroacetyl)benzonitrile
SYSTEMATIC NAME: 2-(2-chloranylethanoyl)benzenecarbonitrile
MOLECULAR FORMULA: C9H6ClNO
MOLECULAR WEIGHT: 179.60304
SMILES: C1=CC=C(C(=C1)C#N)C(=O)CCl
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Product OPENEYE NAME: 5-phenyltetrahydrofuran-2-one
CAS Name: 5-phenyl-2-oxolanone
IUPAC NAME: 5-phenyloxolan-2-one
SYSTEMATIC NAME: 5-phenyloxolan-2-one
MOLECULAR FORMULA: C10H10O2
MOLECULAR WEIGHT: 162.1852
SMILES: C1CC(=O)OC1C2=CC=CC=C2
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Product OPENEYE NAME: 2,3-dimethyldecalin
CAS Name: 2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
IUPAC NAME: 2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SYSTEMATIC NAME: 2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
MOLECULAR FORMULA: C12H22
MOLECULAR WEIGHT: 166.30308
SMILES: CC1CC2CCCCC2CC1C
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Product OPENEYE NAME: 3-phenylpyridine
CAS Name: 3-phenylpyridine
IUPAC NAME: 3-phenylpyridine
SYSTEMATIC NAME: 3-phenylpyridine
MOLECULAR FORMULA: C11H9N
MOLECULAR WEIGHT: 155.19586
SMILES: C1=CC=C(C=C1)C2=CN=CC=C2
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Product OPENEYE NAME: 2-phenylpyridine
CAS Name: 2-phenylpyridine
IUPAC NAME: 2-phenylpyridine
SYSTEMATIC NAME: 2-phenylpyridine
MOLECULAR FORMULA: C11H9N
MOLECULAR WEIGHT: 155.19586
SMILES: C1=CC=C(C=C1)C2=CC=CC=N2
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Product OPENEYE NAME: 1-(4-acetylphenyl)ethanone
CAS Name: 1-(4-acetylphenyl)ethanone
IUPAC NAME: 1-(4-acetylphenyl)ethanone
SYSTEMATIC NAME: 1-(4-ethanoylphenyl)ethanone
MOLECULAR FORMULA: C10H10O2
MOLECULAR WEIGHT: 162.1852
SMILES: CC(=O)C1=CC=C(C=C1)C(=O)C
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Product OPENEYE NAME: 2,4,6-triethyl-1,3,5-triazine
CAS Name: 2,4,6-triethyl-1,3,5-triazine
IUPAC NAME: 2,4,6-triethyl-1,3,5-triazine
SYSTEMATIC NAME: 2,4,6-triethyl-1,3,5-triazine
MOLECULAR FORMULA: C9H15N3
MOLECULAR WEIGHT: 165.2355
SMILES: CCC1=NC(=NC(=N1)CC)CC
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Product OPENEYE NAME: 3-methyl-3-phenyl-butanoic acid
CAS Name: 3-methyl-3-phenylbutanoic acid
IUPAC NAME: 3-methyl-3-phenylbutanoic acid
SYSTEMATIC NAME: 3-methyl-3-phenyl-butanoic acid
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: CC(C)(CC(=O)O)C1=CC=CC=C1
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Product OPENEYE NAME: 2-chloronaphthalene-1,4-dione
CAS Name: 2-chloronaphthalene-1,4-dione
IUPAC NAME: 2-chloronaphthalene-1,4-dione
SYSTEMATIC NAME: 2-chloranylnaphthalene-1,4-dione
MOLECULAR FORMULA: C10H5ClO2
MOLECULAR WEIGHT: 192.5985
SMILES: C1=CC=C2C(=C1)C(=O)C=C(C2=O)Cl
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Product OPENEYE NAME: 2-cyclohexylidenecyclohexanone
CAS Name: 2-cyclohexylidene-1-cyclohexanone
IUPAC NAME: 2-cyclohexylidenecyclohexan-1-one
SYSTEMATIC NAME: 2-cyclohexylidenecyclohexan-1-one
MOLECULAR FORMULA: C12H18O
MOLECULAR WEIGHT: 178.27072
SMILES: C1CCC(=C2CCCCC2=O)CC1
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Product OPENEYE NAME: 4-amino-4-phenyl-butanoic acid
CAS Name: 4-amino-4-phenylbutanoic acid
IUPAC NAME: 4-amino-4-phenylbutanoic acid
SYSTEMATIC NAME: 4-azanyl-4-phenyl-butanoic acid
MOLECULAR FORMULA: C10H13NO2
MOLECULAR WEIGHT: 179.21572
SMILES: C1=CC=C(C=C1)C(CCC(=O)O)N
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Product OPENEYE NAME: 1,4-ditert-butylbenzene
CAS Name: 1,4-ditert-butylbenzene
IUPAC NAME: 1,4-ditert-butylbenzene
SYSTEMATIC NAME: 1,4-ditert-butylbenzene
MOLECULAR FORMULA: C14H22
MOLECULAR WEIGHT: 190.32448
SMILES: CC(C)(C)C1=CC=C(C=C1)C(C)(C)C
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Product OPENEYE NAME: 2,3,4,5,6-pentachlorobenzoic acid
CAS Name: 2,3,4,5,6-pentachlorobenzoic acid
IUPAC NAME: 2,3,4,5,6-pentachlorobenzoic acid
SYSTEMATIC NAME: 2,3,4,5,6-pentakis(chloranyl)benzoic acid
MOLECULAR FORMULA: C7HCl5O2
MOLECULAR WEIGHT: 294.34664
SMILES: C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)C(=O)O
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Product OPENEYE NAME: dibenzothiophene 5-oxide
CAS Name: dibenzothiophene 5-oxide
IUPAC NAME: dibenzothiophene 5-oxide
SYSTEMATIC NAME: dibenzothiophene 5-oxide
MOLECULAR FORMULA: C12H8OS
MOLECULAR WEIGHT: 200.25632
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3S2=O
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Product OPENEYE NAME: [2-(7-chloro-1H-indol-3-yl)-1-methyl-ethyl]ammonium chloride
CAS Name: 1-(7-chloro-1H-indol-3-yl)propan-2-ylammonium chloride
IUPAC NAME: 1-(7-chloro-1H-indol-3-yl)propan-2-ylazanium chloride
SYSTEMATIC NAME: 1-(7-chloranyl-1H-indol-3-yl)propan-2-ylazanium chloride
MOLECULAR FORMULA: C11H14Cl2N2
MOLECULAR WEIGHT: 245.14826
SMILES: CC(CC1=CNC2=C1C=CC=C2Cl)[NH3+].[Cl-]
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Product OPENEYE NAME: 1-(7-chloro-1H-indol-3-yl)propan-2-amine
CAS Name: 1-(7-chloro-1H-indol-3-yl)-2-propanamine
IUPAC NAME: 1-(7-chloro-1H-indol-3-yl)propan-2-amine
SYSTEMATIC NAME: 1-(7-chloranyl-1H-indol-3-yl)propan-2-amine
MOLECULAR FORMULA: C11H13ClN2
MOLECULAR WEIGHT: 208.68732
SMILES: CC(CC1=CNC2=C1C=CC=C2Cl)N
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Product OPENEYE NAME: ethyl N-ethyl-N-phenyl-carbamate
CAS Name: N-ethyl-N-phenylcarbamic acid ethyl ester
IUPAC NAME: ethyl N-ethyl-N-phenylcarbamate
SYSTEMATIC NAME: ethyl N-ethyl-N-phenyl-carbamate
MOLECULAR FORMULA: C11H15NO2
MOLECULAR WEIGHT: 193.2423
SMILES: CCN(C1=CC=CC=C1)C(=O)OCC
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