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MOLECULAR FORMULA: C38H34N4O4-2
MOLECULAR WEIGHT: 610.70096
SMILES: CC1=NC2=CC=CC=C2N=C(C(=C(C3=CC=C(C=C3)OC)[O-])C(=NC4=CC=CC=C4N=C(C1=C(C5=CC=C(C=C5)OC)[O-])C)C)C
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MOLECULAR FORMULA: C50H42N4O4-2
MOLECULAR WEIGHT: 762.89288
SMILES: CC1=NC2=CC=CC=C2N=C(C(=C(C3=CC=C(C=C3)OCC4=CC=CC=C4)[O-])C(=NC5=CC=CC=C5N=C(C1=C(C6=CC=C(C=C6)OCC7=CC=CC=C7)[O-])C)C)C
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MOLECULAR FORMULA: C36H28Cl2N4O2-2
MOLECULAR WEIGHT: 619.53912
SMILES: CC1=NC2=CC=CC=C2N=C(C(=C(C3=CC=C(C=C3)Cl)[O-])C(=NC4=CC=CC=C4N=C(C1=C(C5=CC=C(C=C5)Cl)[O-])C)C)C
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MOLECULAR FORMULA: C36H28N6O6-2
MOLECULAR WEIGHT: 640.64412
SMILES: CC1=NC2=CC=CC=C2N=C(C(=C(C3=CC=C(C=C3)[N+](=O)[O-])[O-])C(=NC4=CC=CC=C4N=C(C1=C(C5=CC=C(C=C5)[N+](=O)[O-])[O-])C)C)C
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MOLECULAR FORMULA: C16H16O3
MOLECULAR WEIGHT: 256.29644
SMILES: CC1=C[C@@]23[C@@H](CCO2)[C@H]([C@@H]3C(=O)O1)C4=CC=CC=C4
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Product OPENEYE NAME: (2Z)-2-[1-[(4-methoxyphenyl)methyl]-2-pyridylidene]-1-phenyl-ethanone
CAS Name: (2Z)-2-[1-[(4-methoxyphenyl)methyl]-2-pyridinylidene]-1-phenylethanone
IUPAC NAME: (2Z)-2-[1-[(4-methoxyphenyl)methyl]pyridin-2-ylidene]-1-phenylethanone
SYSTEMATIC NAME: (2Z)-2-[1-[(4-methoxyphenyl)methyl]pyridin-2-ylidene]-1-phenyl-ethanone
MOLECULAR FORMULA: C21H19NO2
MOLECULAR WEIGHT: 317.38106
SMILES: COC1=CC=C(C=C1)CN\2C=CC=C/C2=C/C(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 5-benzyloxy-2-nitro-phenolate
CAS Name: 2-nitro-5-phenylmethoxyphenolate
IUPAC NAME: 2-nitro-5-phenylmethoxyphenolate
SYSTEMATIC NAME: 2-nitro-5-phenylmethoxy-phenolate
MOLECULAR FORMULA: C13H10NO4-
MOLECULAR WEIGHT: 244.2228
SMILES: C1=CC=C(C=C1)COC2=CC(=C(C=C2)[N+](=O)[O-])[O-]
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MOLECULAR FORMULA: C11H15NOS
MOLECULAR WEIGHT: 209.3079
SMILES: C1C[C@H]2CN(C1)CC3=C([C@@H]2O)C=CS3
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Product OPENEYE NAME: 1-[2-(benzofuran-2-yl)phenyl]-3-diazo-urea
CAS Name: 1-[2-(2-benzofuranyl)phenyl]-3-diazourea
IUPAC NAME: 1-[2-(1-benzofuran-2-yl)phenyl]-3-diazourea
SYSTEMATIC NAME: 1-[2-(1-benzofuran-2-yl)phenyl]-3-diazo-urea
MOLECULAR FORMULA: C15H10N4O2
MOLECULAR WEIGHT: 278.2655
SMILES: C1=CC=C2C(=C1)C=C(O2)C3=CC=CC=C3NC(=O)N=[N+]=[N-]
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Product OPENEYE NAME: (4Z)-4-[(2Z)-2-(3-ethylsulfanyl-2,6-dimethyl-1,2,4-triazin-5-ylidene)ethylidene]-2-phenyl-oxazol-5-one
CAS Name: (4Z)-4-[(2Z)-2-[3-(ethylthio)-2,6-dimethyl-1,2,4-triazin-5-ylidene]ethylidene]-2-phenyl-5-oxazolone
IUPAC NAME: (4Z)-4-[(2Z)-2-(3-ethylsulfanyl-2,6-dimethyl-1,2,4-triazin-5-ylidene)ethylidene]-2-phenyl-1,3-oxazol-5-one
SYSTEMATIC NAME: (4Z)-4-[(2Z)-2-(3-ethylsulfanyl-2,6-dimethyl-1,2,4-triazin-5-ylidene)ethylidene]-2-phenyl-1,3-oxazol-5-one
MOLECULAR FORMULA: C18H18N4O2S
MOLECULAR WEIGHT: 354.42612
SMILES: CCSC1=N/C(=C\C=C/2\C(=O)OC(=N2)C3=CC=CC=C3)/C(=NN1C)C
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Product OPENEYE NAME: (4E)-4-[(2Z)-2-(2-acetyl-3-ethylsulfanyl-6-methyl-1,2,4-triazin-5-ylidene)ethylidene]-2-phenyl-oxazol-5-one
CAS Name: (4E)-4-[(2Z)-2-[2-acetyl-3-(ethylthio)-6-methyl-1,2,4-triazin-5-ylidene]ethylidene]-2-phenyl-5-oxazolone
IUPAC NAME: (4E)-4-[(2Z)-2-(2-acetyl-3-ethylsulfanyl-6-methyl-1,2,4-triazin-5-ylidene)ethylidene]-2-phenyl-1,3-oxazol-5-one
SYSTEMATIC NAME: (4E)-4-[(2Z)-2-(2-ethanoyl-3-ethylsulfanyl-6-methyl-1,2,4-triazin-5-ylidene)ethylidene]-2-phenyl-1,3-oxazol-5-one
MOLECULAR FORMULA: C19H18N4O3S
MOLECULAR WEIGHT: 382.43622
SMILES: CCSC1=N/C(=C\C=C\2/C(=O)OC(=N2)C3=CC=CC=C3)/C(=NN1C(=O)C)C
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Product OPENEYE NAME: (4Z)-4-[(2Z)-2-(2-acetyl-6-methyl-3-methylsulfanyl-1,2,4-triazin-5-ylidene)ethylidene]-2-phenyl-oxazol-5-one
CAS Name: (4Z)-4-[(2Z)-2-[2-acetyl-6-methyl-3-(methylthio)-1,2,4-triazin-5-ylidene]ethylidene]-2-phenyl-5-oxazolone
IUPAC NAME: (4Z)-4-[(2Z)-2-(2-acetyl-6-methyl-3-methylsulfanyl-1,2,4-triazin-5-ylidene)ethylidene]-2-phenyl-1,3-oxazol-5-one
SYSTEMATIC NAME: (4Z)-4-[(2Z)-2-(2-ethanoyl-6-methyl-3-methylsulfanyl-1,2,4-triazin-5-ylidene)ethylidene]-2-phenyl-1,3-oxazol-5-one
MOLECULAR FORMULA: C18H16N4O3S
MOLECULAR WEIGHT: 368.40964
SMILES: CC\1=NN(C(=N/C1=C\C=C/2\C(=O)OC(=N2)C3=CC=CC=C3)SC)C(=O)C
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Product OPENEYE NAME: (4Z)-4-[(2Z)-2-(2-acetyl-3-methoxy-6-methyl-1,2,4-triazin-5-ylidene)ethylidene]-2-phenyl-oxazol-5-one
CAS Name: (4Z)-4-[(2Z)-2-(2-acetyl-3-methoxy-6-methyl-1,2,4-triazin-5-ylidene)ethylidene]-2-phenyl-5-oxazolone
IUPAC NAME: (4Z)-4-[(2Z)-2-(2-acetyl-3-methoxy-6-methyl-1,2,4-triazin-5-ylidene)ethylidene]-2-phenyl-1,3-oxazol-5-one
SYSTEMATIC NAME: (4Z)-4-[(2Z)-2-(2-ethanoyl-3-methoxy-6-methyl-1,2,4-triazin-5-ylidene)ethylidene]-2-phenyl-1,3-oxazol-5-one
MOLECULAR FORMULA: C18H16N4O4
MOLECULAR WEIGHT: 352.34404
SMILES: CC\1=NN(C(=N/C1=C\C=C/2\C(=O)OC(=N2)C3=CC=CC=C3)OC)C(=O)C
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Product OPENEYE NAME: (4E)-4-[(2-acetyl-3-ethylsulfanyl-7,8-dihydro-6H-1,2,4-benzotriazin-5-yl)methylene]-2-phenyl-oxazol-5-one
CAS Name: (4E)-4-[[2-acetyl-3-(ethylthio)-7,8-dihydro-6H-1,2,4-benzotriazin-5-yl]methylidene]-2-phenyl-5-oxazolone
IUPAC NAME: (4E)-4-[(2-acetyl-3-ethylsulfanyl-7,8-dihydro-6H-1,2,4-benzotriazin-5-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
SYSTEMATIC NAME: (4E)-4-[(2-ethanoyl-3-ethylsulfanyl-7,8-dihydro-6H-1,2,4-benzotriazin-5-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
MOLECULAR FORMULA: C21H20N4O3S
MOLECULAR WEIGHT: 408.4735
SMILES: CCSC1=NC2=C(CCCC2=NN1C(=O)C)/C=C/3\C(=O)OC(=N3)C4=CC=CC=C4
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Product OPENEYE NAME: (4E)-4-[(2Z)-2-(2-acetyl-3-ethylsulfanyl-6-methyl-1,2,4-triazin-5-ylidene)ethylidene]-2-benzylsulfanyl-thiazol-5-one
CAS Name: (4E)-4-[(2Z)-2-[2-acetyl-3-(ethylthio)-6-methyl-1,2,4-triazin-5-ylidene]ethylidene]-2-(phenylmethylthio)-5-thiazolone
IUPAC NAME: (4E)-4-[(2Z)-2-(2-acetyl-3-ethylsulfanyl-6-methyl-1,2,4-triazin-5-ylidene)ethylidene]-2-benzylsulfanyl-1,3-thiazol-5-one
SYSTEMATIC NAME: (4E)-4-[(2Z)-2-(2-ethanoyl-3-ethylsulfanyl-6-methyl-1,2,4-triazin-5-ylidene)ethylidene]-2-(phenylmethylsulfanyl)-1,3-thiazol-5-one
MOLECULAR FORMULA: C20H20N4O2S3
MOLECULAR WEIGHT: 444.5934
SMILES: CCSC1=N/C(=C\C=C\2/C(=O)SC(=N2)SCC3=CC=CC=C3)/C(=NN1C(=O)C)C
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