Product OPENEYE NAME: 2-methylsulfinyl-3-nitro-4-(2-phenylethyl)-1H-pyrrole
CAS Name: 2-methylsulfinyl-3-nitro-4-(2-phenylethyl)-1H-pyrrole
IUPAC NAME: 2-methylsulfinyl-3-nitro-4-(2-phenylethyl)-1H-pyrrole
SYSTEMATIC NAME: 2-methylsulfinyl-3-nitro-4-(2-phenylethyl)-1H-pyrrole
MOLECULAR FORMULA: C13H14N2O3S
MOLECULAR WEIGHT: 278.32686
SMILES: CS(=O)C1=C(C(=CN1)CCC2=CC=CC=C2)[N+](=O)[O-]
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Product OPENEYE NAME: 4-butyl-2-methylsulfinyl-3-nitro-1H-pyrrole
CAS Name: 4-butyl-2-methylsulfinyl-3-nitro-1H-pyrrole
IUPAC NAME: 4-butyl-2-methylsulfinyl-3-nitro-1H-pyrrole
SYSTEMATIC NAME: 4-butyl-2-methylsulfinyl-3-nitro-1H-pyrrole
MOLECULAR FORMULA: C9H14N2O3S
MOLECULAR WEIGHT: 230.28406
SMILES: CCCCC1=CNC(=C1[N+](=O)[O-])S(=O)C
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Product OPENEYE NAME: N-[2-[(3-chloro-2-pyridyl)methylsulfanyl]ethyl]-3-nitro-1H-pyrrol-2-amine
CAS Name: N-[2-[(3-chloro-2-pyridinyl)methylthio]ethyl]-3-nitro-1H-pyrrol-2-amine
IUPAC NAME: N-[2-[(3-chloropyridin-2-yl)methylsulfanyl]ethyl]-3-nitro-1H-pyrrol-2-amine
SYSTEMATIC NAME: N-[2-[(3-chloranylpyridin-2-yl)methylsulfanyl]ethyl]-3-nitro-1H-pyrrol-2-amine
MOLECULAR FORMULA: C12H13ClN4O2S
MOLECULAR WEIGHT: 312.77522
SMILES: C1=CC(=C(N=C1)CSCCNC2=C(C=CN2)[N+](=O)[O-])Cl
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Product OPENEYE NAME: N-[2-[[5-[(dimethylamino)methyl]-2-furyl]methylsulfanyl]ethyl]-3-nitro-1H-pyrrol-2-amine
CAS Name: N-[2-[[5-[(dimethylamino)methyl]-2-furanyl]methylthio]ethyl]-3-nitro-1H-pyrrol-2-amine
IUPAC NAME: N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-3-nitro-1H-pyrrol-2-amine
SYSTEMATIC NAME: N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-3-nitro-1H-pyrrol-2-amine
MOLECULAR FORMULA: C14H20N4O3S
MOLECULAR WEIGHT: 324.3986
SMILES: CN(C)CC1=CC=C(O1)CSCCNC2=C(C=CN2)[N+](=O)[O-]
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Product OPENEYE NAME: ethyl 3-octadecanoyloxybenzoate
CAS Name: 3-(1-oxooctadecoxy)benzoic acid ethyl ester
IUPAC NAME: ethyl 3-octadecanoyloxybenzoate
SYSTEMATIC NAME: ethyl 3-octadecanoyloxybenzoate
MOLECULAR FORMULA: C27H44O4
MOLECULAR WEIGHT: 432.63586
SMILES: CCCCCCCCCCCCCCCCCC(=O)OC1=CC=CC(=C1)C(=O)OCC
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Product OPENEYE NAME: 4-(2,5-diethyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-1,4-thiazinane 1,1-dioxide
CAS Name: 4-(2,5-diethyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-1,4-thiazinane 1,1-dioxide
IUPAC NAME: 4-(2,5-diethyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-1,4-thiazinane 1,1-dioxide
SYSTEMATIC NAME: 4-(2,5-diethyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-1,4-thiazinane 1,1-dioxide
MOLECULAR FORMULA: C13H19N5O2S
MOLECULAR WEIGHT: 309.38726
SMILES: CCC1=NN2C(=N1)C=C(N=C2CC)N3CCS(=O)(=O)CC3
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Product OPENEYE NAME: 4-(2,5-diethyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-1,4-thiazinane 1-oxide
CAS Name: 4-(2,5-diethyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-1,4-thiazinane 1-oxide
IUPAC NAME: 4-(2,5-diethyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-1,4-thiazinane 1-oxide
SYSTEMATIC NAME: 4-(2,5-diethyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-1,4-thiazinane 1-oxide
MOLECULAR FORMULA: C13H19N5OS
MOLECULAR WEIGHT: 293.38786
SMILES: CCC1=NN2C(=N1)C=C(N=C2CC)N3CCS(=O)CC3
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Product OPENEYE NAME: 2-[3-[(E)-4-phenyl-3-tetrahydropyran-2-yloxy-pent-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]acetaldehyde
CAS Name: 2-[3-[(E)-3-(2-oxanyloxy)-4-phenylpent-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]acetaldehyde
IUPAC NAME: 2-[3-[(E)-3-(oxan-2-yloxy)-4-phenylpent-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]acetaldehyde
SYSTEMATIC NAME: 2-[3-[(E)-3-(oxan-2-yloxy)-4-phenyl-pent-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]ethanal
MOLECULAR FORMULA: C24H32O4
MOLECULAR WEIGHT: 384.50848
SMILES: CC(C1=CC=CC=C1)C(/C=C/C2C3CCC(C2CC=O)O3)OC4CCCCO4
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Product OPENEYE NAME: (E)-4-[3-[(E)-4-phenyl-3-tetrahydropyran-2-yloxy-pent-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]but-2-en-1-ol
CAS Name: (E)-4-[3-[(E)-3-(2-oxanyloxy)-4-phenylpent-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-2-buten-1-ol
IUPAC NAME: (E)-4-[3-[(E)-3-(oxan-2-yloxy)-4-phenylpent-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]but-2-en-1-ol
SYSTEMATIC NAME: (E)-4-[3-[(E)-3-(oxan-2-yloxy)-4-phenyl-pent-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]but-2-en-1-ol
MOLECULAR FORMULA: C26H36O4
MOLECULAR WEIGHT: 412.56164
SMILES: CC(C1=CC=CC=C1)C(/C=C/C2C3CCC(C2C/C=C/CO)O3)OC4CCCCO4
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Product OPENEYE NAME: (E)-1-[2-[(E)-4-(2-hydroxyethoxy)but-2-enyl]-7-oxabicyclo[2.2.1]heptan-3-yl]-4-phenyl-pent-1-en-3-ol
CAS Name: (E)-1-[2-[(E)-4-(2-hydroxyethoxy)but-2-enyl]-7-oxabicyclo[2.2.1]heptan-3-yl]-4-phenyl-1-penten-3-ol
IUPAC NAME: (E)-1-[2-[(E)-4-(2-hydroxyethoxy)but-2-enyl]-7-oxabicyclo[2.2.1]heptan-3-yl]-4-phenylpent-1-en-3-ol
SYSTEMATIC NAME: (E)-1-[2-[(E)-4-(2-hydroxyethyloxy)but-2-enyl]-7-oxabicyclo[2.2.1]heptan-3-yl]-4-phenyl-pent-1-en-3-ol
MOLECULAR FORMULA: C23H32O4
MOLECULAR WEIGHT: 372.49778
SMILES: CC(C1=CC=CC=C1)C(/C=C/C2C3CCC(C2C/C=C/COCCO)O3)O
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Product OPENEYE NAME: 2-[(E)-4-[3-[(E)-3-hydroxy-4-phenyl-pent-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]but-2-enoxy]acetic acid
CAS Name: 2-[(E)-4-[3-[(E)-3-hydroxy-4-phenylpent-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]but-2-enoxy]acetic acid
IUPAC NAME: 2-[(E)-4-[3-[(E)-3-hydroxy-4-phenylpent-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]but-2-enoxy]acetic acid
SYSTEMATIC NAME: 2-[(E)-4-[3-[(E)-3-oxidanyl-4-phenyl-pent-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]but-2-enoxy]ethanoic acid
MOLECULAR FORMULA: C23H30O5
MOLECULAR WEIGHT: 386.4813
SMILES: CC(C1=CC=CC=C1)C(/C=C/C2C3CCC(C2C/C=C/COCC(=O)O)O3)O
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Product OPENEYE NAME: N-benzyl-2-ethyl-aniline
CAS Name: 2-ethyl-N-(phenylmethyl)aniline
IUPAC NAME: N-benzyl-2-ethylaniline
SYSTEMATIC NAME: 2-ethyl-N-(phenylmethyl)aniline
MOLECULAR FORMULA: C15H17N
MOLECULAR WEIGHT: 211.30218
SMILES: CCC1=CC=CC=C1NCC2=CC=CC=C2
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Product OPENEYE NAME: N-benzyl-2-methoxy-5-methyl-aniline
CAS Name: 2-methoxy-5-methyl-N-(phenylmethyl)aniline
IUPAC NAME: N-benzyl-2-methoxy-5-methylaniline
SYSTEMATIC NAME: 2-methoxy-5-methyl-N-(phenylmethyl)aniline
MOLECULAR FORMULA: C15H17NO
MOLECULAR WEIGHT: 227.30158
SMILES: CC1=CC(=C(C=C1)OC)NCC2=CC=CC=C2
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Product OPENEYE NAME: N-benzyl-4-isopropyl-aniline
CAS Name: N-(phenylmethyl)-4-propan-2-ylaniline
IUPAC NAME: N-benzyl-4-propan-2-ylaniline
SYSTEMATIC NAME: N-(phenylmethyl)-4-propan-2-yl-aniline
MOLECULAR FORMULA: C16H19N
MOLECULAR WEIGHT: 225.32876
SMILES: CC(C)C1=CC=C(C=C1)NCC2=CC=CC=C2
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Product OPENEYE NAME: 3-methyl-N-(1-phenylethyl)aniline
CAS Name: 3-methyl-N-(1-phenylethyl)aniline
IUPAC NAME: 3-methyl-N-(1-phenylethyl)aniline
SYSTEMATIC NAME: 3-methyl-N-(1-phenylethyl)aniline
MOLECULAR FORMULA: C15H17N
MOLECULAR WEIGHT: 211.30218
SMILES: CC1=CC(=CC=C1)NC(C)C2=CC=CC=C2
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Product OPENEYE NAME: 2-ethyl-N-(1-phenylethyl)aniline
CAS Name: 2-ethyl-N-(1-phenylethyl)aniline
IUPAC NAME: 2-ethyl-N-(1-phenylethyl)aniline
SYSTEMATIC NAME: 2-ethyl-N-(1-phenylethyl)aniline
MOLECULAR FORMULA: C16H19N
MOLECULAR WEIGHT: 225.32876
SMILES: CCC1=CC=CC=C1NC(C)C2=CC=CC=C2
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Product OPENEYE NAME: 3-chloro-N-(1-phenylethyl)aniline
CAS Name: 3-chloro-N-(1-phenylethyl)aniline
IUPAC NAME: 3-chloro-N-(1-phenylethyl)aniline
SYSTEMATIC NAME: 3-chloranyl-N-(1-phenylethyl)aniline
MOLECULAR FORMULA: C14H14ClN
MOLECULAR WEIGHT: 231.72066
SMILES: CC(C1=CC=CC=C1)NC2=CC(=CC=C2)Cl
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Product OPENEYE NAME: 2,3-dimethyl-N-(1-phenylethyl)aniline
CAS Name: 2,3-dimethyl-N-(1-phenylethyl)aniline
IUPAC NAME: 2,3-dimethyl-N-(1-phenylethyl)aniline
SYSTEMATIC NAME: 2,3-dimethyl-N-(1-phenylethyl)aniline
MOLECULAR FORMULA: C16H19N
MOLECULAR WEIGHT: 225.32876
SMILES: CC1=C(C(=CC=C1)NC(C)C2=CC=CC=C2)C
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Product OPENEYE NAME: (3S)-3-(4-chlorophenyl)-3-(2-pyridyl)propan-1-amine
CAS Name: (3S)-3-(4-chlorophenyl)-3-(2-pyridinyl)-1-propanamine
IUPAC NAME: (3S)-3-(4-chlorophenyl)-3-pyridin-2-ylpropan-1-amine
SYSTEMATIC NAME: (3S)-3-(4-chlorophenyl)-3-pyridin-2-yl-propan-1-amine
MOLECULAR FORMULA: C14H15ClN2
MOLECULAR WEIGHT: 246.7353
SMILES: C1=CC=NC(=C1)[C@@H](CCN)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 3-(4-chlorophenyl)-3-(2-pyridyl)propan-1-amine; maleic acid
CAS Name: (Z)-2-butenedioic acid; 3-(4-chlorophenyl)-3-(2-pyridinyl)-1-propanamine
IUPAC NAME: (Z)-but-2-enedioic acid; 3-(4-chlorophenyl)-3-pyridin-2-ylpropan-1-amine
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 3-(4-chlorophenyl)-3-pyridin-2-yl-propan-1-amine
MOLECULAR FORMULA: C18H19ClN2O4
MOLECULAR WEIGHT: 362.80746
SMILES: C1=CC=NC(=C1)C(CCN)C2=CC=C(C=C2)Cl.C(=C\C(=O)O)\C(=O)O
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Product OPENEYE NAME: isobutyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate
CAS Name: 2-[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]-oxomethyl]sulfamoyl]benzoic acid 2-methylpropyl ester
IUPAC NAME: 2-methylpropyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate
SYSTEMATIC NAME: 2-methylpropyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate
MOLECULAR FORMULA: C17H21N5O6S
MOLECULAR WEIGHT: 423.44354
SMILES: CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OCC(C)C
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