Product OPENEYE NAME: 4-isocyanato-2,3-dimethyl-phenol; 4-isocyanato-3-methyl-phenol
CAS Name: 4-isocyanato-2,3-dimethylphenol; 4-isocyanato-3-methylphenol
IUPAC NAME: 4-isocyanato-2,3-dimethylphenol; 4-isocyanato-3-methylphenol
SYSTEMATIC NAME: 4-isocyanato-2,3-dimethyl-phenol; 4-isocyanato-3-methyl-phenol
MOLECULAR FORMULA: C17H16N2O4
MOLECULAR WEIGHT: 312.31994
SMILES: CC1=C(C=CC(=C1)O)N=C=O.CC1=C(C=CC(=C1C)O)N=C=O
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Product OPENEYE NAME: 4-isocyanato-2,3-dimethyl-phenol
CAS Name: 4-isocyanato-2,3-dimethylphenol
IUPAC NAME: 4-isocyanato-2,3-dimethylphenol
SYSTEMATIC NAME: 4-isocyanato-2,3-dimethyl-phenol
MOLECULAR FORMULA: C9H9NO2
MOLECULAR WEIGHT: 163.17326
SMILES: CC1=C(C=CC(=C1C)O)N=C=O
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Product OPENEYE NAME: 2-[1-(2-amino-1-methyl-2-oxo-ethyl)piperazin-2-yl]propanamide
CAS Name: 2-[1-(1-amino-1-oxopropan-2-yl)-2-piperazinyl]propanamide
IUPAC NAME: 2-[1-(1-amino-1-oxopropan-2-yl)piperazin-2-yl]propanamide
SYSTEMATIC NAME: 2-[1-(1-azanyl-1-oxidanylidene-propan-2-yl)piperazin-2-yl]propanamide
MOLECULAR FORMULA: C10H20N4O2
MOLECULAR WEIGHT: 228.2914
SMILES: CC(C1CNCCN1C(C)C(=O)N)C(=O)N
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Product OPENEYE NAME: 5,6,7-trichlorospiro[isobenzofuran-3,9'-xanthene]-1-one
CAS Name: 5,6,7-trichloro-1-spiro[isobenzofuran-3,9'-xanthene]one
IUPAC NAME: 5,6,7-trichlorospiro[2-benzofuran-3,9'-xanthene]-1-one
SYSTEMATIC NAME: 5,6,7-tris(chloranyl)spiro[2-benzofuran-3,9'-xanthene]-1-one
MOLECULAR FORMULA: C20H9Cl3O3
MOLECULAR WEIGHT: 403.64266
SMILES: C1=CC=C2C(=C1)C3(C4=CC=CC=C4O2)C5=CC(=C(C(=C5C(=O)O3)Cl)Cl)Cl
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Product OPENEYE NAME: 4-[1-chloro-1-[(4-chlorophenyl)carbamoyl]-3,3-dimethyl-2-oxo-butoxy]benzoic acid
CAS Name: 4-[2-chloro-1-(4-chloroanilino)-4,4-dimethyl-1,3-dioxopentan-2-yl]oxybenzoic acid
IUPAC NAME: 4-[2-chloro-1-(4-chloroanilino)-4,4-dimethyl-1,3-dioxopentan-2-yl]oxybenzoic acid
SYSTEMATIC NAME: 4-[2-chloranyl-1-[(4-chlorophenyl)amino]-4,4-dimethyl-1,3-bis(oxidanylidene)pentan-2-yl]oxybenzoic acid
MOLECULAR FORMULA: C20H19Cl2NO5
MOLECULAR WEIGHT: 424.27456
SMILES: CC(C)(C)C(=O)C(C(=O)NC1=CC=C(C=C1)Cl)(OC2=CC=C(C=C2)C(=O)O)Cl
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Product OPENEYE NAME: 5-amino-2-(1,3-benzothiazol-2-yl)-1H-pyrazol-3-one
CAS Name: 5-amino-2-(1,3-benzothiazol-2-yl)-1H-pyrazol-3-one
IUPAC NAME: 5-amino-2-(1,3-benzothiazol-2-yl)-1H-pyrazol-3-one
SYSTEMATIC NAME: 5-azanyl-2-(1,3-benzothiazol-2-yl)-1H-pyrazol-3-one
MOLECULAR FORMULA: C10H8N4OS
MOLECULAR WEIGHT: 232.26172
SMILES: C1=CC=C2C(=C1)N=C(S2)N3C(=O)C=C(N3)N
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Product OPENEYE NAME: 5-chloro-1,3-diethyl-2H-benzimidazole
CAS Name: 5-chloro-1,3-diethyl-2H-benzimidazole
IUPAC NAME: 5-chloro-1,3-diethyl-2H-benzimidazole
SYSTEMATIC NAME: 5-chloranyl-1,3-diethyl-2H-benzimidazole
MOLECULAR FORMULA: C11H15ClN2
MOLECULAR WEIGHT: 210.7032
SMILES: CCN1CN(C2=C1C=CC(=C2)Cl)CC
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Product OPENEYE NAME: 6-chloro-1,3-diethyl-2H-benzo[f]benzimidazole
CAS Name: 6-chloro-1,3-diethyl-2H-benzo[f]benzimidazole
IUPAC NAME: 6-chloro-1,3-diethyl-2H-benzo[f]benzimidazole
SYSTEMATIC NAME: 6-chloranyl-1,3-diethyl-2H-benzo[f]benzimidazole
MOLECULAR FORMULA: C15H17ClN2
MOLECULAR WEIGHT: 260.76188
SMILES: CCN1CN(C2=C1C=C3C=CC(=CC3=C2)Cl)CC
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Product OPENEYE NAME: 1,3-diethyl-2H-imidazo[4,5-b]quinoline
CAS Name: 1,3-diethyl-2H-imidazo[4,5-b]quinoline
IUPAC NAME: 1,3-diethyl-2H-imidazo[4,5-b]quinoline
SYSTEMATIC NAME: 1,3-diethyl-2H-imidazo[4,5-b]quinoline
MOLECULAR FORMULA: C14H17N3
MOLECULAR WEIGHT: 227.30488
SMILES: CCN1CN(C2=NC3=CC=CC=C3C=C21)CC
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Product OPENEYE NAME: (5E)-2-[(E)-2-anilinovinyl]-3-ethyl-1-phenyl-5-[(2E)-2-(1,3,3-trimethylindolin-2-ylidene)ethylidene]-1H-imidazole-1,3-diium-4-one iodide
CAS Name: (5E)-2-[(E)-2-anilinoethenyl]-3-ethyl-1-phenyl-5-[(2E)-2-(1,3,3-trimethyl-2-indolylidene)ethylidene]-1H-imidazole-1,3-diium-4-one iodide
IUPAC NAME: (5E)-2-[(E)-2-anilinoethenyl]-3-ethyl-1-phenyl-5-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-1H-imidazole-1,3-diium-4-one iodide
SYSTEMATIC NAME: (5E)-3-ethyl-1-phenyl-2-[(E)-2-phenylazanylethenyl]-5-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-1H-imidazole-1,3-diium-4-one iodide
MOLECULAR FORMULA: C32H34IN4O+
MOLECULAR WEIGHT: 617.54303
SMILES: CC[N+]1=C([NH+](/C(=C/C=C/2\C(C3=CC=CC=C3N2C)(C)C)/C1=O)C4=CC=CC=C4)/C=C/NC5=CC=CC=C5.[I-]
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Product OPENEYE NAME: (5E)-2-[(E)-2-anilinovinyl]-3-ethyl-1-phenyl-5-[(2E)-2-(1,3,3-trimethylindolin-2-ylidene)ethylidene]imidazol-3-ium-4-one
CAS Name: (5E)-2-[(E)-2-anilinoethenyl]-3-ethyl-1-phenyl-5-[(2E)-2-(1,3,3-trimethyl-2-indolylidene)ethylidene]-4-imidazol-3-iumone
IUPAC NAME: (5E)-2-[(E)-2-anilinoethenyl]-3-ethyl-1-phenyl-5-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]imidazol-3-ium-4-one
SYSTEMATIC NAME: (5E)-3-ethyl-1-phenyl-2-[(E)-2-phenylazanylethenyl]-5-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]imidazol-3-ium-4-one
MOLECULAR FORMULA: C32H33N4O+
MOLECULAR WEIGHT: 489.63062
SMILES: CC[N+]1=C(N(/C(=C/C=C/2\C(C3=CC=CC=C3N2C)(C)C)/C1=O)C4=CC=CC=C4)/C=C/NC5=CC=CC=C5
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Product OPENEYE NAME: 1-ethyl-3-phenyl-2H-imidazo[4,5-b]quinoline
CAS Name: 1-ethyl-3-phenyl-2H-imidazo[4,5-b]quinoline
IUPAC NAME: 1-ethyl-3-phenyl-2H-imidazo[4,5-b]quinoline
SYSTEMATIC NAME: 1-ethyl-3-phenyl-2H-imidazo[4,5-b]quinoline
MOLECULAR FORMULA: C18H17N3
MOLECULAR WEIGHT: 275.34768
SMILES: CCN1CN(C2=NC3=CC=CC=C3C=C21)C4=CC=CC=C4
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Product OPENEYE NAME: 1,3-diethyl-5,6-dimethyl-2H-imidazo[4,5-b]pyridine
CAS Name: 1,3-diethyl-5,6-dimethyl-2H-imidazo[4,5-b]pyridine
IUPAC NAME: 1,3-diethyl-5,6-dimethyl-2H-imidazo[4,5-b]pyridine
SYSTEMATIC NAME: 1,3-diethyl-5,6-dimethyl-2H-imidazo[4,5-b]pyridine
MOLECULAR FORMULA: C12H19N3
MOLECULAR WEIGHT: 205.29936
SMILES: CCN1CN(C2=C1C=C(C(=N2)C)C)CC
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Product OPENEYE NAME: (5E)-3-ethyl-5-[(2E)-2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]-2-methyl-1-phenyl-1H-imidazole-1,3-diium-4-one iodide
CAS Name: (5E)-3-ethyl-5-[(2E)-2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]-2-methyl-1-phenyl-1H-imidazole-1,3-diium-4-one iodide
IUPAC NAME: (5E)-3-ethyl-5-[(2E)-2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]-2-methyl-1-phenyl-1H-imidazole-1,3-diium-4-one iodide
SYSTEMATIC NAME: (5E)-3-ethyl-5-[(2E)-2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]-2-methyl-1-phenyl-1H-imidazole-1,3-diium-4-one iodide
MOLECULAR FORMULA: C23H25IN3O2+
MOLECULAR WEIGHT: 502.36797
SMILES: CCN\1C2=CC=CC=C2O/C1=C/C=C/3\C(=O)[N+](=C([NH+]3C4=CC=CC=C4)C)CC.[I-]
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Product OPENEYE NAME: (5E)-3-ethyl-5-[(2E)-2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]-2-methyl-1-phenyl-imidazol-3-ium-4-one
CAS Name: (5E)-3-ethyl-5-[(2E)-2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]-2-methyl-1-phenyl-4-imidazol-3-iumone
IUPAC NAME: (5E)-3-ethyl-5-[(2E)-2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]-2-methyl-1-phenylimidazol-3-ium-4-one
SYSTEMATIC NAME: (5E)-3-ethyl-5-[(2E)-2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]-2-methyl-1-phenyl-imidazol-3-ium-4-one
MOLECULAR FORMULA: C23H24N3O2+
MOLECULAR WEIGHT: 374.45556
SMILES: CCN\1C2=CC=CC=C2O/C1=C/C=C/3\C(=O)[N+](=C(N3C4=CC=CC=C4)C)CC
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Product OPENEYE NAME: 1,3-diethyl-2H-imidazo[4,5-b]pyridine
CAS Name: 1,3-diethyl-2H-imidazo[4,5-b]pyridine
IUPAC NAME: 1,3-diethyl-2H-imidazo[4,5-b]pyridine
SYSTEMATIC NAME: 1,3-diethyl-2H-imidazo[4,5-b]pyridine
MOLECULAR FORMULA: C10H15N3
MOLECULAR WEIGHT: 177.2462
SMILES: CCN1CN(C2=C1C=CC=N2)CC
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Product OPENEYE NAME: 1,3,4-triphenyl-2H-imidazole
CAS Name: 1,3,4-triphenyl-2H-imidazole
IUPAC NAME: 1,3,4-triphenyl-2H-imidazole
SYSTEMATIC NAME: 1,3,4-triphenyl-2H-imidazole
MOLECULAR FORMULA: C21H18N2
MOLECULAR WEIGHT: 298.38102
SMILES: C1N(C=C(N1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: 4-methoxythieno[2,3-e][1,3]benzothiazole
CAS Name: 4-methoxythieno[2,3-e][1,3]benzothiazole
IUPAC NAME: 4-methoxythieno[2,3-e][1,3]benzothiazole
SYSTEMATIC NAME: 4-methoxythieno[2,3-e][1,3]benzothiazole
MOLECULAR FORMULA: C10H7NOS2
MOLECULAR WEIGHT: 221.29868
SMILES: COC1=C2C(=C3C(=C1)C=CS3)N=CS2
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Product OPENEYE NAME: 1,3-diethyl-2H-benzo[f]benzimidazole
CAS Name: 1,3-diethyl-2H-benzo[f]benzimidazole
IUPAC NAME: 1,3-diethyl-2H-benzo[f]benzimidazole
SYSTEMATIC NAME: 1,3-diethyl-2H-benzo[f]benzimidazole
MOLECULAR FORMULA: C15H18N2
MOLECULAR WEIGHT: 226.31682
SMILES: CCN1CN(C2=CC3=CC=CC=C3C=C21)CC
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Product OPENEYE NAME: (5E)-3-ethyl-5-[(2Z)-2-(1-ethyl-3,3-dimethyl-indolin-2-ylidene)ethylidene]-2-methylsulfanyl-thiazol-3-ium-4-one; 4-methylbenzenesulfonate
CAS Name: (5E)-3-ethyl-5-[(2Z)-2-(1-ethyl-3,3-dimethyl-2-indolylidene)ethylidene]-2-(methylthio)-4-thiazol-3-iumone; 4-methylbenzenesulfonate
IUPAC NAME: (5E)-3-ethyl-5-[(2Z)-2-(1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]-2-methylsulfanyl-1,3-thiazol-3-ium-4-one; 4-methylbenzenesulfonate
SYSTEMATIC NAME: (5E)-3-ethyl-5-[(2Z)-2-(1-ethyl-3,3-dimethyl-indol-2-ylidene)ethylidene]-2-methylsulfanyl-1,3-thiazol-3-ium-4-one; 4-methylbenzenesulfonate
MOLECULAR FORMULA: C27H32N2O4S3
MOLECULAR WEIGHT: 544.74898
SMILES: CCN\1C2=CC=CC=C2C(/C1=C/C=C/3\C(=O)[N+](=C(S3)SC)CC)(C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]
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Product OPENEYE NAME: (5E)-3-ethyl-5-[(2Z)-2-(1-ethyl-3,3-dimethyl-indolin-2-ylidene)ethylidene]-2-methylsulfanyl-thiazol-3-ium-4-one
CAS Name: (5E)-3-ethyl-5-[(2Z)-2-(1-ethyl-3,3-dimethyl-2-indolylidene)ethylidene]-2-(methylthio)-4-thiazol-3-iumone
IUPAC NAME: (5E)-3-ethyl-5-[(2Z)-2-(1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]-2-methylsulfanyl-1,3-thiazol-3-ium-4-one
SYSTEMATIC NAME: (5E)-3-ethyl-5-[(2Z)-2-(1-ethyl-3,3-dimethyl-indol-2-ylidene)ethylidene]-2-methylsulfanyl-1,3-thiazol-3-ium-4-one
MOLECULAR FORMULA: C20H25N2OS2+
MOLECULAR WEIGHT: 373.5553
SMILES: CCN\1C2=CC=CC=C2C(/C1=C/C=C/3\C(=O)[N+](=C(S3)SC)CC)(C)C
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Product OPENEYE NAME: sodium bis[(4-carboxyphenyl)sulfonyl]ammonium
CAS Name: sodium bis[(4-carboxyphenyl)sulfonyl]ammonium
IUPAC NAME: sodium bis[(4-carboxyphenyl)sulfonyl]azanium
SYSTEMATIC NAME: sodium bis[(4-carboxyphenyl)sulfonyl]azanium
MOLECULAR FORMULA: C14H12NNaO8S2+2
MOLECULAR WEIGHT: 409.36675
SMILES: C1=CC(=CC=C1C(=O)O)S(=O)(=O)[NH2+]S(=O)(=O)C2=CC=C(C=C2)C(=O)O.[Na+]
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