Product OPENEYE NAME: [2-[2-[(dimethylamino)methyl]pyrrol-1-yl]-3-thienyl]-(4-fluorophenyl)methanone
CAS Name: [2-[2-[(dimethylamino)methyl]-1-pyrrolyl]-3-thiophenyl]-(4-fluorophenyl)methanone
IUPAC NAME: [2-[2-[(dimethylamino)methyl]pyrrol-1-yl]thiophen-3-yl]-(4-fluorophenyl)methanone
SYSTEMATIC NAME: [2-[2-[(dimethylamino)methyl]pyrrol-1-yl]thiophen-3-yl]-(4-fluorophenyl)methanone
MOLECULAR FORMULA: C18H17FN2OS
MOLECULAR WEIGHT: 328.403783
SMILES: CN(C)CC1=CC=CN1C2=C(C=CS2)C(=O)C3=CC=C(C=C3)F
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Product OPENEYE NAME: [1-[3-(4-fluorobenzoyl)-2-thienyl]pyrrol-2-yl]methyl-trimethyl-ammonium
CAS Name: [1-[3-[(4-fluorophenyl)-oxomethyl]-2-thiophenyl]-2-pyrrolyl]methyl-trimethylammonium
IUPAC NAME: [1-[3-(4-fluorobenzoyl)thiophen-2-yl]pyrrol-2-yl]methyl-trimethylazanium
SYSTEMATIC NAME: [1-[3-(4-fluorophenyl)carbonylthiophen-2-yl]pyrrol-2-yl]methyl-trimethyl-azanium
MOLECULAR FORMULA: C19H20FN2OS+
MOLECULAR WEIGHT: 343.438303
SMILES: C[N+](C)(C)CC1=CC=CN1C2=C(C=CS2)C(=O)C3=CC=C(C=C3)F
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Product OPENEYE NAME: [2-[2-(azidomethyl)pyrrol-1-yl]-3-thienyl]-(4-fluorophenyl)methanone
CAS Name: [2-[2-(azidomethyl)-1-pyrrolyl]-3-thiophenyl]-(4-fluorophenyl)methanone
IUPAC NAME: [2-[2-(azidomethyl)pyrrol-1-yl]thiophen-3-yl]-(4-fluorophenyl)methanone
SYSTEMATIC NAME: [2-[2-(azidomethyl)pyrrol-1-yl]thiophen-3-yl]-(4-fluorophenyl)methanone
MOLECULAR FORMULA: C16H11FN4OS
MOLECULAR WEIGHT: 326.348143
SMILES: C1=CN(C(=C1)CN=[N+]=[N-])C2=C(C=CS2)C(=O)C3=CC=C(C=C3)F
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H18FN3S
MOLECULAR WEIGHT: 339.429723
SMILES: CN(C)CC1=CC=C2N1C3=C(C=CS3)C(=NC2)C4=CC=C(C=C4)F
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Product OPENEYE NAME: (4-fluorophenyl)-(2-pyrrol-1-yl-3-thienyl)methanone oxime
CAS Name: (4-fluorophenyl)-[2-(1-pyrrolyl)-3-thiophenyl]methanone oxime
IUPAC NAME: (NE)-N-[(4-fluorophenyl)-(2-pyrrol-1-ylthiophen-3-yl)methylidene]hydroxylamine
SYSTEMATIC NAME: (NE)-N-[(4-fluorophenyl)-(2-pyrrol-1-ylthiophen-3-yl)methylidene]hydroxylamine
MOLECULAR FORMULA: C15H11FN2OS
MOLECULAR WEIGHT: 286.324043
SMILES: C1=CN(C=C1)C2=C(C=CS2)/C(=N/O)/C3=CC=C(C=C3)F
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Product OPENEYE NAME: ethyl 7-chloro-3-isopropoxy-2-methyl-1,4-benzothiazine-2-carboxylate
CAS Name: 7-chloro-2-methyl-3-propan-2-yloxy-1,4-benzothiazine-2-carboxylic acid ethyl ester
IUPAC NAME: ethyl 7-chloro-2-methyl-3-propan-2-yloxy-1,4-benzothiazine-2-carboxylate
SYSTEMATIC NAME: ethyl 7-chloranyl-2-methyl-3-propan-2-yloxy-1,4-benzothiazine-2-carboxylate
MOLECULAR FORMULA: C15H18ClNO3S
MOLECULAR WEIGHT: 327.82632
SMILES: CCOC(=O)C1(C(=NC2=C(S1)C=C(C=C2)Cl)OC(C)C)C
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Product OPENEYE NAME: 2-oxo-6-phenyl-4-(1-phenylethyl)-3H-pyridine-3-carbonitrile
CAS Name: 2-oxo-6-phenyl-4-(1-phenylethyl)-3H-pyridine-3-carbonitrile
IUPAC NAME: 2-oxo-6-phenyl-4-(1-phenylethyl)-3H-pyridine-3-carbonitrile
SYSTEMATIC NAME: 2-oxidanylidene-6-phenyl-4-(1-phenylethyl)-3H-pyridine-3-carbonitrile
MOLECULAR FORMULA: C20H16N2O
MOLECULAR WEIGHT: 300.35384
SMILES: CC(C1=CC=CC=C1)C2=CC(=NC(=O)C2C#N)C3=CC=CC=C3
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Product OPENEYE NAME: 4-[(4-methoxy-3-quinolyl)sulfanyl]quinoline-3-thiolate
CAS Name: 4-[(4-methoxy-3-quinolinyl)thio]-3-quinolinethiolate
IUPAC NAME: 4-(4-methoxyquinolin-3-yl)sulfanylquinoline-3-thiolate
SYSTEMATIC NAME: 4-(4-methoxyquinolin-3-yl)sulfanylquinoline-3-thiolate
MOLECULAR FORMULA: C19H13N2OS2-
MOLECULAR WEIGHT: 349.44932
SMILES: COC1=C(C=NC2=CC=CC=C21)SC3=C(C=NC4=CC=CC=C43)[S-]
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Product OPENEYE NAME: tert-butyl 2-[(E)-3-ethoxy-3-oxo-prop-1-enyl]-1,4-benzoxazine-4-carboxylate
CAS Name: 2-[(E)-3-ethoxy-3-oxoprop-1-enyl]-1,4-benzoxazine-4-carboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 2-[(E)-3-ethoxy-3-oxoprop-1-enyl]-1,4-benzoxazine-4-carboxylate
SYSTEMATIC NAME: tert-butyl 2-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]-1,4-benzoxazine-4-carboxylate
MOLECULAR FORMULA: C18H21NO5
MOLECULAR WEIGHT: 331.36304
SMILES: CCOC(=O)/C=C/C1=CN(C2=CC=CC=C2O1)C(=O)OC(C)(C)C
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Product OPENEYE NAME: 1-amino-1,2-dimethyl-3-phenyl-isothiourea
CAS Name: N-amino-N-methyl-N'-phenylcarbamimidothioic acid methyl ester
IUPAC NAME: methyl N-amino-N-methyl-N'-phenylcarbamimidothioate
SYSTEMATIC NAME: methyl N-azanyl-N-methyl-N'-phenyl-carbamimidothioate
MOLECULAR FORMULA: C9H13N3S
MOLECULAR WEIGHT: 195.28462
SMILES: CN(C(=NC1=CC=CC=C1)SC)N
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Product OPENEYE NAME: ethyl N-[(5Z)-4-methyl-5-[(1-methylallylamino)methylene]-1,3,4-thiadiazol-2-yl]carbamate
CAS Name: N-[(5Z)-5-[(but-3-en-2-ylamino)methylidene]-4-methyl-1,3,4-thiadiazol-2-yl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[(5Z)-5-[(but-3-en-2-ylamino)methylidene]-4-methyl-1,3,4-thiadiazol-2-yl]carbamate
SYSTEMATIC NAME: ethyl N-[(5Z)-5-[(but-3-en-2-ylamino)methylidene]-4-methyl-1,3,4-thiadiazol-2-yl]carbamate
MOLECULAR FORMULA: C11H18N4O2S
MOLECULAR WEIGHT: 270.35122
SMILES: CCOC(=O)NC1=NN(/C(=C/NC(C)C=C)/S1)C
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Product OPENEYE NAME: ethyl N-[(5Z)-5-(anilinomethylene)-4-methyl-1,3,4-thiadiazol-2-yl]carbamate
CAS Name: N-[(5Z)-5-(anilinomethylidene)-4-methyl-1,3,4-thiadiazol-2-yl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[(5Z)-5-(anilinomethylidene)-4-methyl-1,3,4-thiadiazol-2-yl]carbamate
SYSTEMATIC NAME: ethyl N-[(5Z)-4-methyl-5-(phenylazanylmethylidene)-1,3,4-thiadiazol-2-yl]carbamate
MOLECULAR FORMULA: C13H16N4O2S
MOLECULAR WEIGHT: 292.35674
SMILES: CCOC(=O)NC1=NN(/C(=C/NC2=CC=CC=C2)/S1)C
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Product OPENEYE NAME: N-[(5Z)-5-(anilinomethylene)-4-methyl-1,3,4-thiadiazol-2-yl]benzamide
CAS Name: N-[(5Z)-5-(anilinomethylidene)-4-methyl-1,3,4-thiadiazol-2-yl]benzamide
IUPAC NAME: N-[(5Z)-5-(anilinomethylidene)-4-methyl-1,3,4-thiadiazol-2-yl]benzamide
SYSTEMATIC NAME: N-[(5Z)-4-methyl-5-(phenylazanylmethylidene)-1,3,4-thiadiazol-2-yl]benzamide
MOLECULAR FORMULA: C17H16N4OS
MOLECULAR WEIGHT: 324.40014
SMILES: CN1/C(=C/NC2=CC=CC=C2)/SC(=N1)NC(=O)C3=CC=CC=C3
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Product OPENEYE NAME: ethyl (NZ)-N-(5-benzamido-3-methyl-1,3,4-thiadiazol-2-ylidene)carbamate
CAS Name: (NZ)-N-(5-benzamido-3-methyl-1,3,4-thiadiazol-2-ylidene)carbamic acid ethyl ester
IUPAC NAME: ethyl (NZ)-N-(5-benzamido-3-methyl-1,3,4-thiadiazol-2-ylidene)carbamate
SYSTEMATIC NAME: ethyl (NZ)-N-(5-benzamido-3-methyl-1,3,4-thiadiazol-2-ylidene)carbamate
MOLECULAR FORMULA: C13H14N4O3S
MOLECULAR WEIGHT: 306.34026
SMILES: CCOC(=O)/N=C\1/N(N=C(S1)NC(=O)C2=CC=CC=C2)C
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Product OPENEYE NAME: 4-methyl-2,6-diphenyl-hexahydropyridazin-4-ol
CAS Name: 4-methyl-2,6-diphenyl-4-diazinanol
IUPAC NAME: 4-methyl-2,6-diphenyldiazinan-4-ol
SYSTEMATIC NAME: 4-methyl-2,6-diphenyl-1,2-diazinan-4-ol
MOLECULAR FORMULA: C17H20N2O
MOLECULAR WEIGHT: 268.3535
SMILES: CC1(CC(NN(C1)C2=CC=CC=C2)C3=CC=CC=C3)O
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