Product OPENEYE NAME: (2,3-diethyl-2-isopropyl-5,5-dimethyl-thiazolidin-4-yl)-dioxido-oxo-$l^{5}-phosphane
CAS Name: (2,3-diethyl-5,5-dimethyl-2-propan-2-yl-4-thiazolidinyl)-dioxido-oxophosphorane
IUPAC NAME: (2,3-diethyl-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidin-4-yl)-dioxido-oxo-$l^{5}-phosphane
SYSTEMATIC NAME: (2,3-diethyl-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidin-4-yl)-bis(oxidanidyl)-oxidanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C12H24NO3PS-2
MOLECULAR WEIGHT: 293.362621
SMILES: CCC1(N(C(C(S1)(C)C)P(=O)([O-])[O-])CC)C(C)C
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Product OPENEYE NAME: (2,3-diethyl-2-isopropyl-5,5-dimethyl-thiazolidin-4-yl)phosphonic acid
CAS Name: (2,3-diethyl-5,5-dimethyl-2-propan-2-yl-4-thiazolidinyl)phosphonic acid
IUPAC NAME: (2,3-diethyl-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidin-4-yl)phosphonic acid
SYSTEMATIC NAME: (2,3-diethyl-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidin-4-yl)phosphonic acid
MOLECULAR FORMULA: C12H26NO3PS
MOLECULAR WEIGHT: 295.378501
SMILES: CCC1(N(C(C(S1)(C)C)P(=O)(O)O)CC)C(C)C
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Product OPENEYE NAME: prop-1-ene; tetralin-5-ol
CAS Name: 1-propene; 5,6,7,8-tetrahydronaphthalen-1-ol
IUPAC NAME: prop-1-ene; 5,6,7,8-tetrahydronaphthalen-1-ol
SYSTEMATIC NAME: prop-1-ene; 5,6,7,8-tetrahydronaphthalen-1-ol
MOLECULAR FORMULA: C13H18O
MOLECULAR WEIGHT: 190.28142
SMILES: CC=C.C1CCC2=C(C1)C=CC=C2O
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Product OPENEYE NAME: 7-allyltetralin-6-ol
CAS Name: 3-prop-2-enyl-5,6,7,8-tetrahydronaphthalen-2-ol
IUPAC NAME: 3-prop-2-enyl-5,6,7,8-tetrahydronaphthalen-2-ol
SYSTEMATIC NAME: 3-prop-2-enyl-5,6,7,8-tetrahydronaphthalen-2-ol
MOLECULAR FORMULA: C13H16O
MOLECULAR WEIGHT: 188.26554
SMILES: C=CCC1=C(C=C2CCCCC2=C1)O
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Product OPENEYE NAME: ethyl 6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazole-2-carboxylate
CAS Name: 6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazole-2-carboxylic acid ethyl ester
IUPAC NAME: ethyl 6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazole-2-carboxylate
SYSTEMATIC NAME: ethyl 6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazole-2-carboxylate
MOLECULAR FORMULA: C13H13NO3
MOLECULAR WEIGHT: 231.24722
SMILES: CCOC(=O)C1=NC2=C(O1)C=C3CCCC3=C2
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Product OPENEYE NAME: 5-allyl-7-nitro-tetralin-6-ol
CAS Name: 3-nitro-1-prop-2-enyl-5,6,7,8-tetrahydronaphthalen-2-ol
IUPAC NAME: 3-nitro-1-prop-2-enyl-5,6,7,8-tetrahydronaphthalen-2-ol
SYSTEMATIC NAME: 3-nitro-1-prop-2-enyl-5,6,7,8-tetrahydronaphthalen-2-ol
MOLECULAR FORMULA: C13H15NO3
MOLECULAR WEIGHT: 233.2631
SMILES: C=CCC1=C2CCCCC2=CC(=C1O)[N+](=O)[O-]
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Product OPENEYE NAME: 4-chloro-5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazole-2-carboxylic acid
CAS Name: 4-chloro-5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazole-2-carboxylic acid
IUPAC NAME: 4-chloro-5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazole-2-carboxylic acid
SYSTEMATIC NAME: 4-chloranyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazole-2-carboxylic acid
MOLECULAR FORMULA: C12H10ClNO3
MOLECULAR WEIGHT: 251.6657
SMILES: C1CCC2=C(C3=C(C=C2C1)OC(=N3)C(=O)O)Cl
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Product OPENEYE NAME: (2E)-2-(nitrosomethylene)-5,6,7,8-tetrahydro-3H-benzo[f][1,3]benzoxazole
CAS Name: (2E)-2-(nitrosomethylidene)-5,6,7,8-tetrahydro-3H-benzo[f][1,3]benzoxazole
IUPAC NAME: (2E)-2-(nitrosomethylidene)-5,6,7,8-tetrahydro-3H-benzo[f][1,3]benzoxazole
SYSTEMATIC NAME: (2E)-2-(nitrosomethylidene)-5,6,7,8-tetrahydro-3H-benzo[f][1,3]benzoxazole
MOLECULAR FORMULA: C12H12N2O2
MOLECULAR WEIGHT: 216.23588
SMILES: C1CCC2=CC3=C(C=C2C1)N/C(=C\N=O)/O3
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Product OPENEYE NAME: 5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazole-2-carbonitrile
CAS Name: 5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazole-2-carbonitrile
IUPAC NAME: 5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazole-2-carbonitrile
SYSTEMATIC NAME: 5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazole-2-carbonitrile
MOLECULAR FORMULA: C12H10N2O
MOLECULAR WEIGHT: 198.2206
SMILES: C1CCC2=CC3=C(C=C2C1)N=C(O3)C#N
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Product OPENEYE NAME: dichloromethane; trichloroborane
CAS Name: dichloromethane; trichloroborane
IUPAC NAME: dichloromethane; trichloroborane
SYSTEMATIC NAME: bis(chloranyl)methane; tris(chloranyl)borane
MOLECULAR FORMULA: CH2BCl5
MOLECULAR WEIGHT: 202.10258
SMILES: B(Cl)(Cl)Cl.C(Cl)Cl
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Product OPENEYE NAME: 4-(1-ethoxyethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazole-2-carboxylate
CAS Name: 4-(1-ethoxyethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazole-2-carboxylate
IUPAC NAME: 4-(1-ethoxyethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazole-2-carboxylate
SYSTEMATIC NAME: 4-(1-ethoxyethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazole-2-carboxylate
MOLECULAR FORMULA: C16H18NO4-
MOLECULAR WEIGHT: 288.31842
SMILES: CCOC(C)C1=C2CCCCC2=CC3=C1N=C(O3)C(=O)[O-]
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Product OPENEYE NAME: 4-(1-ethoxyethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazole-2-carboxylic acid
CAS Name: 4-(1-ethoxyethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazole-2-carboxylic acid
IUPAC NAME: 4-(1-ethoxyethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazole-2-carboxylic acid
SYSTEMATIC NAME: 4-(1-ethoxyethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazole-2-carboxylic acid
MOLECULAR FORMULA: C16H19NO4
MOLECULAR WEIGHT: 289.32636
SMILES: CCOC(C)C1=C2CCCCC2=CC3=C1N=C(O3)C(=O)O
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Product OPENEYE NAME: ethyl 4-(trifluoromethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazole-2-carboxylate
CAS Name: 4-(trifluoromethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazole-2-carboxylic acid ethyl ester
IUPAC NAME: ethyl 4-(trifluoromethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazole-2-carboxylate
SYSTEMATIC NAME: ethyl 4-(trifluoromethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzoxazole-2-carboxylate
MOLECULAR FORMULA: C15H14F3NO3
MOLECULAR WEIGHT: 313.27177
SMILES: CCOC(=O)C1=NC2=C(O1)C=C3CCCCC3=C2C(F)(F)F
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Product OPENEYE NAME: (E)-[1-(4-chlorophenyl)-2-imidazol-1-yl-ethylidene]-[(4-chlorophenyl)methyl]-hydroxy-ammonium; nitric acid
CAS Name: (E)-[1-(4-chlorophenyl)-2-(1-imidazolyl)ethylidene]-[(4-chlorophenyl)methyl]-hydroxyammonium; nitric acid
IUPAC NAME: (E)-[1-(4-chlorophenyl)-2-imidazol-1-ylethylidene]-[(4-chlorophenyl)methyl]-hydroxyazanium; nitric acid
SYSTEMATIC NAME: (E)-[1-(4-chlorophenyl)-2-imidazol-1-yl-ethylidene]-[(4-chlorophenyl)methyl]-oxidanyl-azanium; nitric acid
MOLECULAR FORMULA: C18H17Cl2N4O4+
MOLECULAR WEIGHT: 424.25798
SMILES: C1=CC(=CC=C1C/[N+](=C(\CN2C=CN=C2)/C3=CC=C(C=C3)Cl)/O)Cl.[N+](=O)(O)[O-]
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Product OPENEYE NAME: (E)-[1-(4-chlorophenyl)-2-imidazol-1-yl-ethylidene]-[(4-chlorophenyl)methyl]-hydroxy-ammonium
CAS Name: (E)-[1-(4-chlorophenyl)-2-(1-imidazolyl)ethylidene]-[(4-chlorophenyl)methyl]-hydroxyammonium
IUPAC NAME: (E)-[1-(4-chlorophenyl)-2-imidazol-1-ylethylidene]-[(4-chlorophenyl)methyl]-hydroxyazanium
SYSTEMATIC NAME: (E)-[1-(4-chlorophenyl)-2-imidazol-1-yl-ethylidene]-[(4-chlorophenyl)methyl]-oxidanyl-azanium
MOLECULAR FORMULA: C18H16Cl2N3O+
MOLECULAR WEIGHT: 361.24514
SMILES: C1=CC(=CC=C1C/[N+](=C(\CN2C=CN=C2)/C3=CC=C(C=C3)Cl)/O)Cl
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Product OPENEYE NAME: bicyclo[4.1.0]hepta-1,3,5-triene; 1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethanone oxime; nitrate
CAS Name: bicyclo[4.1.0]hepta-1,3,5-triene; 1-(2,4-dichlorophenyl)-2-(1-imidazolyl)ethanone oxime; nitrate
IUPAC NAME: bicyclo[4.1.0]hepta-1,3,5-triene; (NZ)-N-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethylidene]hydroxylamine; nitrate
SYSTEMATIC NAME: bicyclo[4.1.0]hepta-1,3,5-triene; (NZ)-N-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethylidene]hydroxylamine; nitrate
MOLECULAR FORMULA: C18H15Cl2N4O4-
MOLECULAR WEIGHT: 422.2421
SMILES: C1C2=CC=CC=C21.C1=CC(=C(C=C1Cl)Cl)/C(=N/O)/CN2C=CN=C2.[N+](=O)([O-])[O-]
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Product OPENEYE NAME: 1-cyano-2-(2-hydroxyethyl)-3-imino-1-methyl-guanidine
CAS Name: 1-cyano-2-(2-hydroxyethyl)-3-imino-1-methylguanidine
IUPAC NAME: 1-cyano-2-(2-hydroxyethyl)-3-imino-1-methylguanidine
SYSTEMATIC NAME: 3-azanylidene-1-cyano-2-(2-hydroxyethyl)-1-methyl-guanidine
MOLECULAR FORMULA: C5H9N5O
MOLECULAR WEIGHT: 155.15786
SMILES: CN(C#N)C(=NCCO)N=N
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Product OPENEYE NAME: 1-imino-2-(2-sulfanylethyl)guanidine
CAS Name: 1-imino-2-(2-mercaptoethyl)guanidine
IUPAC NAME: 1-imino-2-(2-sulfanylethyl)guanidine
SYSTEMATIC NAME: 1-azanylidene-2-(2-sulfanylethyl)guanidine
MOLECULAR FORMULA: C3H8N4S
MOLECULAR WEIGHT: 132.18742
SMILES: C(CS)N=C(N)N=N
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Product OPENEYE NAME: 5-methyl-4-propylsulfanyl-1H-imidazole
CAS Name: 5-methyl-4-(propylthio)-1H-imidazole
IUPAC NAME: 5-methyl-4-propylsulfanyl-1H-imidazole
SYSTEMATIC NAME: 5-methyl-4-propylsulfanyl-1H-imidazole
MOLECULAR FORMULA: C7H12N2S
MOLECULAR WEIGHT: 156.24858
SMILES: CCCSC1=C(NC=N1)C
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Product OPENEYE NAME: 1-[(5-methyl-1H-imidazol-4-yl)disulfanyl]propyl formate
CAS Name: formic acid 1-[(5-methyl-1H-imidazol-4-yl)disulfanyl]propyl ester
IUPAC NAME: 1-[(5-methyl-1H-imidazol-4-yl)disulfanyl]propyl formate
SYSTEMATIC NAME: 1-[(5-methyl-1H-imidazol-4-yl)disulfanyl]propyl methanoate
MOLECULAR FORMULA: C8H12N2O2S2
MOLECULAR WEIGHT: 232.32308
SMILES: CCC(OC=O)SSC1=C(NC=N1)C
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Product OPENEYE NAME: 2-cyano-1-methyl-1-[3-[(5-methyl-1H-imidazol-4-yl)sulfanylmethyl]aziridin-2-yl]guanidine
CAS Name: 2-cyano-1-methyl-1-[3-[[(5-methyl-1H-imidazol-4-yl)thio]methyl]-2-aziridinyl]guanidine
IUPAC NAME: 2-cyano-1-methyl-1-[3-[(5-methyl-1H-imidazol-4-yl)sulfanylmethyl]aziridin-2-yl]guanidine
SYSTEMATIC NAME: 2-cyano-1-methyl-1-[3-[(5-methyl-1H-imidazol-4-yl)sulfanylmethyl]aziridin-2-yl]guanidine
MOLECULAR FORMULA: C10H15N7S
MOLECULAR WEIGHT: 265.338
SMILES: CC1=C(N=CN1)SCC2C(N2)N(C)C(=NC#N)N
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Product OPENEYE NAME: (5-methyl-1H-imidazol-4-yl)methyl acetate
CAS Name: acetic acid (5-methyl-1H-imidazol-4-yl)methyl ester
IUPAC NAME: (5-methyl-1H-imidazol-4-yl)methyl acetate
SYSTEMATIC NAME: (5-methyl-1H-imidazol-4-yl)methyl ethanoate
MOLECULAR FORMULA: C7H10N2O2
MOLECULAR WEIGHT: 154.1665
SMILES: CC1=C(N=CN1)COC(=O)C
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