CAS RN: 24352-66-7
CAS Name: 1-[(1-mercaptocyclohexyl)thio]-1-cyclohexanethiol
OPENEYE Name: 1-(1-sulfanylcyclohexyl)sulfanylcyclohexanethiol
IUPAC Name: 1-(1-sulfanylcyclohexyl)sulfanylcyclohexane-1-thiol
SYSTEMATIC NAME: 1-(1-sulfanylcyclohexyl)sulfanylcyclohexane-1-thiol
MOLECULAR FORMULA: C12H22S3
MOLECULAR WEIGHT: 262.49808
SMILES: C1CCC(CC1)(S)SC2(CCCCC2)S
Structure:
CAS RN: 179-01-1
CAS Name: 7,14,15-trithiadispiro[5.1.5^{8}.2^{6}]pentadecane
OPENEYE Name: 7,14,15-trithiadispiro[5.1.5^{8}.2^{6}]pentadecane
IUPAC Name: 7,14,15-trithiadispiro[5.1.5^{8}.2^{6}]pentadecane
SYSTEMATIC NAME: 7,14,15-trithiadispiro[5.1.5^{8}.2^{6}]pentadecane
MOLECULAR FORMULA: C12H20S3
MOLECULAR WEIGHT: 260.4822
SMILES: C1CCC2(CC1)SC3(CCCCC3)SS2
Structure:
CAS RN: 40766-30-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H10FN3O4
MOLECULAR WEIGHT: 243.191803
SMILES: C1=C(C(=N)N=C2N1C3C(O2)C(C(O3)CO)O)F
Structure:
CAS RN: 40505-45-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H10FN3O4
MOLECULAR WEIGHT: 243.191803
SMILES: C1=C(C(=N)N=C2N1C3C(O2)C(C(O3)CO)O)F
Structure:
CAS RN: 37697-53-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H12FN3O6
MOLECULAR WEIGHT: 289.217183
SMILES: C1=C(C(=N)N=C2N1C3C(O2)C(C(O3)CO)O)F.C(=O)O
Structure:
CAS RN: 36871-69-9
CAS Name: 2-[[oxo-[2,2,5,5-tetrakis(trifluoromethyl)-4-oxazolidinyl]methyl]amino]acetic acid
OPENEYE Name: 2-[[2,2,5,5-tetrakis(trifluoromethyl)oxazolidine-4-carbonyl]amino]acetic acid
IUPAC Name: 2-[[2,2,5,5-tetrakis(trifluoromethyl)-1,3-oxazolidine-4-carbonyl]amino]acetic acid
SYSTEMATIC NAME: 2-[[2,2,5,5-tetrakis(trifluoromethyl)-1,3-oxazolidin-4-yl]carbonylamino]ethanoic acid
MOLECULAR FORMULA: C10H6F12N2O4
MOLECULAR WEIGHT: 446.146478
SMILES: C(C(=O)O)NC(=O)C1C(OC(N1)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
Structure:
CAS RN: 102561-42-2
CAS Name: 1-(1-anthracenyl)-3-(2-chloroethyl)urea
OPENEYE Name: 1-(1-anthryl)-3-(2-chloroethyl)urea
IUPAC Name: 1-anthracen-1-yl-3-(2-chloroethyl)urea
SYSTEMATIC NAME: 1-anthracen-1-yl-3-(2-chloroethyl)urea
MOLECULAR FORMULA: C17H15ClN2O
MOLECULAR WEIGHT: 298.7668
SMILES: C1=CC=C2C=C3C(=CC2=C1)C=CC=C3NC(=O)NCCCl
Structure:
CAS RN: 102367-63-5
CAS Name: 3,5-diphenyl-3,4-dihydro-2H-1,2,6-thiadiazine 1,1-dioxide
OPENEYE Name: 3,5-diphenyl-3,4-dihydro-2H-1,2,6-thiadiazine 1,1-dioxide
IUPAC Name: 3,5-diphenyl-3,4-dihydro-2H-1,2,6-thiadiazine 1,1-dioxide
SYSTEMATIC NAME: 3,5-diphenyl-3,4-dihydro-2H-1,2,6-thiadiazine 1,1-dioxide
MOLECULAR FORMULA: C15H14N2O2S
MOLECULAR WEIGHT: 286.34886
SMILES: C1C(NS(=O)(=O)N=C1C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 10253-83-5
CAS Name: 1-(2-chloroethyl)-3-(2-propylphenyl)urea
OPENEYE Name: 1-(2-chloroethyl)-3-(2-propylphenyl)urea
IUPAC Name: 1-(2-chloroethyl)-3-(2-propylphenyl)urea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-(2-propylphenyl)urea
MOLECULAR FORMULA: C12H17ClN2O
MOLECULAR WEIGHT: 240.72918
SMILES: CCCC1=CC=CC=C1NC(=O)NCCCl
Structure:
CAS RN: 35631-21-1
CAS Name: 1-(3-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)-2-buten-1-one
OPENEYE Name: 1-(3-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-1-one
IUPAC Name: 1-(3-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-1-one
SYSTEMATIC NAME: 1-(3-chlorophenyl)-4,4,4-tris(fluoranyl)-3-(trifluoromethyl)but-2-en-1-one
MOLECULAR FORMULA: C11H5ClF6O
MOLECULAR WEIGHT: 302.600219
SMILES: C1=CC(=CC(=C1)Cl)C(=O)C=C(C(F)(F)F)C(F)(F)F
Structure:
CAS RN: 35632-66-7
CAS Name: 1-(4-bromophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)-2-buten-1-one
OPENEYE Name: 1-(4-bromophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-1-one
IUPAC Name: 1-(4-bromophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-1-one
SYSTEMATIC NAME: 1-(4-bromophenyl)-4,4,4-tris(fluoranyl)-3-(trifluoromethyl)but-2-en-1-one
MOLECULAR FORMULA: C11H5BrF6O
MOLECULAR WEIGHT: 347.051219
SMILES: C1=CC(=CC=C1C(=O)C=C(C(F)(F)F)C(F)(F)F)Br
Structure:
CAS RN: 34844-15-0
CAS Name: 1-(3-chlorophenyl)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)-1-butanone
OPENEYE Name: 1-(3-chlorophenyl)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-1-one
IUPAC Name: 1-(3-chlorophenyl)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-1-one
SYSTEMATIC NAME: 1-(3-chlorophenyl)-4,4,4-tris(fluoranyl)-3-oxidanyl-3-(trifluoromethyl)butan-1-one
MOLECULAR FORMULA: C11H7ClF6O2
MOLECULAR WEIGHT: 320.615499
SMILES: C1=CC(=CC(=C1)Cl)C(=O)CC(C(F)(F)F)(C(F)(F)F)O
Structure:
CAS RN: 35631-01-7
CAS Name: 1-(2-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)-2-buten-1-one
OPENEYE Name: 1-(2-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-1-one
IUPAC Name: 1-(2-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-1-one
SYSTEMATIC NAME: 1-(2-chlorophenyl)-4,4,4-tris(fluoranyl)-3-(trifluoromethyl)but-2-en-1-one
MOLECULAR FORMULA: C11H5ClF6O
MOLECULAR WEIGHT: 302.600219
SMILES: C1=CC=C(C(=C1)C(=O)C=C(C(F)(F)F)C(F)(F)F)Cl
Structure:
CAS RN: 35736-15-3
CAS Name: 1-(2,5-dimethoxyphenyl)-4,4,4-trifluoro-3-(trifluoromethyl)-2-buten-1-one
OPENEYE Name: 1-(2,5-dimethoxyphenyl)-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-1-one
IUPAC Name: 1-(2,5-dimethoxyphenyl)-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-1-one
SYSTEMATIC NAME: 1-(2,5-dimethoxyphenyl)-4,4,4-tris(fluoranyl)-3-(trifluoromethyl)but-2-en-1-one
MOLECULAR FORMULA: C13H10F6O3
MOLECULAR WEIGHT: 328.207119
SMILES: COC1=CC(=C(C=C1)OC)C(=O)C=C(C(F)(F)F)C(F)(F)F
Structure:
CAS RN: 1025-39-4
CAS Name: 1-(2-chloroethyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
OPENEYE Name: 1-(2-chloroethyl)-3-tetralin-2-yl-urea
IUPAC Name: 1-(2-chloroethyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
MOLECULAR FORMULA: C13H17ClN2O
MOLECULAR WEIGHT: 252.73988
SMILES: C1CC2=CC=CC=C2CC1NC(=O)NCCCl
Structure:
CAS RN: 102339-11-7
CAS Name: 5-amino-N-(2-chloroethyl)-1-tetrazolecarboxamide
OPENEYE Name: 5-amino-N-(2-chloroethyl)tetrazole-1-carboxamide
IUPAC Name: 5-amino-N-(2-chloroethyl)tetrazole-1-carboxamide
SYSTEMATIC NAME: 5-azanyl-N-(2-chloroethyl)-1,2,3,4-tetrazole-1-carboxamide
MOLECULAR FORMULA: C4H7ClN6O
MOLECULAR WEIGHT: 190.59098
SMILES: C(CCl)NC(=O)N1C(=NN=N1)N
Structure:
CAS RN: 102433-67-0
CAS Name: 1-(1,2,6,7,8,8a-hexahydroacenaphthylen-5-yl)-3-(2-chloroethyl)urea
OPENEYE Name: 1-(1,2,6,7,8,8a-hexahydroacenaphthylen-5-yl)-3-(2-chloroethyl)urea
IUPAC Name: 1-(1,2,6,7,8,8a-hexahydroacenaphthylen-5-yl)-3-(2-chloroethyl)urea
SYSTEMATIC NAME: 1-(1,2,6,7,8,8a-hexahydroacenaphthylen-5-yl)-3-(2-chloroethyl)urea
MOLECULAR FORMULA: C15H19ClN2O
MOLECULAR WEIGHT: 278.77716
SMILES: C1CC2CCC3=C2C(=C(C=C3)NC(=O)NCCCl)C1
Structure:
CAS RN: 102206-46-2
CAS Name: 6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-pyridinecarboxaldehyde
OPENEYE Name: 6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]pyridine-2-carbaldehyde
IUPAC Name: 6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]pyridine-2-carbaldehyde
SYSTEMATIC NAME: 6-[3,3,3-tris(fluoranyl)-2-oxidanyl-2-(trifluoromethyl)propyl]pyridine-2-carbaldehyde
MOLECULAR FORMULA: C10H7F6NO2
MOLECULAR WEIGHT: 287.158499
SMILES: C1=CC(=NC(=C1)CC(C(F)(F)F)(C(F)(F)F)O)C=O
Structure:
CAS RN: 10246-68-1
CAS Name: 1-(2-chloroethyl)-3-(5-chloro-2-methylphenyl)urea
OPENEYE Name: 1-(2-chloroethyl)-3-(5-chloro-2-methyl-phenyl)urea
IUPAC Name: 1-(2-chloroethyl)-3-(5-chloro-2-methylphenyl)urea
SYSTEMATIC NAME: 1-(5-chloranyl-2-methyl-phenyl)-3-(2-chloroethyl)urea
MOLECULAR FORMULA: C10H12Cl2N2O
MOLECULAR WEIGHT: 247.12108
SMILES: CC1=C(C=C(C=C1)Cl)NC(=O)NCCCl
Structure:
CAS RN: 1015-38-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H16N2O
MOLECULAR WEIGHT: 216.27894
SMILES: C1CC2=CC(=CC3=C2N(C1)CCC3)NC=O
Structure:
CAS RN: 1003-51-6
CAS Name: 1-(2-chloroethyl)-3-[(2,6-dimethylphenyl)methyl]urea
OPENEYE Name: 1-(2-chloroethyl)-3-[(2,6-dimethylphenyl)methyl]urea
IUPAC Name: 1-(2-chloroethyl)-3-[(2,6-dimethylphenyl)methyl]urea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-[(2,6-dimethylphenyl)methyl]urea
MOLECULAR FORMULA: C12H17ClN2O
MOLECULAR WEIGHT: 240.72918
SMILES: CC1=C(C(=CC=C1)C)CNC(=O)NCCCl
Structure:
CAS RN: 10252-83-2
CAS Name: 1-(2-chloroethyl)-3-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)urea
OPENEYE Name: 1-(2-chloroethyl)-3-(4-methyltetralin-1-yl)urea
IUPAC Name: 1-(2-chloroethyl)-3-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)urea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)urea
MOLECULAR FORMULA: C14H19ClN2O
MOLECULAR WEIGHT: 266.76646
SMILES: CC1CCC(C2=CC=CC=C12)NC(=O)NCCCl
Structure:
CAS RN: 102129-14-6
CAS Name: 1,1,1,3,3,3-hexafluoro-2-[[2-phenyl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-3-pyrazolyl]methyl]-2-propanol
OPENEYE Name: 1,1,1,3,3,3-hexafluoro-2-[[2-phenyl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]pyrazol-3-yl]methyl]propan-2-ol
IUPAC Name: 1,1,1,3,3,3-hexafluoro-2-[[2-phenyl-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]pyrazol-3-yl]methyl]propan-2-ol
SYSTEMATIC NAME: 1,1,1,3,3,3-hexakis(fluoranyl)-2-[[2-phenyl-5-[3,3,3-tris(fluoranyl)-2-oxidanyl-2-(trifluoromethyl)propyl]pyrazol-3-yl]methyl]propan-2-ol
MOLECULAR FORMULA: C17H12F12N2O2
MOLECULAR WEIGHT: 504.270218
SMILES: C1=CC=C(C=C1)N2C(=CC(=N2)CC(C(F)(F)F)(C(F)(F)F)O)CC(C(F)(F)F)(C(F)(F)F)O
Structure:
CAS RN: 1025-48-5
CAS Name: 1-(2-chloroethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)urea
OPENEYE Name: 1-(2-chloroethyl)-3-(tetralin-5-ylmethyl)urea
IUPAC Name: 1-(2-chloroethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)urea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)urea
MOLECULAR FORMULA: C14H19ClN2O
MOLECULAR WEIGHT: 266.76646
SMILES: C1CCC2=C(C1)C=CC=C2CNC(=O)NCCCl
Structure:
CAS RN: 102433-40-9
CAS Name: 1-(2-chloroethyl)-3-[4-(dimethylamino)phenyl]urea
OPENEYE Name: 1-(2-chloroethyl)-3-[4-(dimethylamino)phenyl]urea
IUPAC Name: 1-(2-chloroethyl)-3-[4-(dimethylamino)phenyl]urea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-[4-(dimethylamino)phenyl]urea
MOLECULAR FORMULA: C11H16ClN3O
MOLECULAR WEIGHT: 241.71724
SMILES: CN(C)C1=CC=C(C=C1)NC(=O)NCCCl
Structure:
CAS RN: 102490-65-3
CAS Name: 1-(2-chloroethyl)-3-(2,5-dimethoxyphenyl)urea
OPENEYE Name: 1-(2-chloroethyl)-3-(2,5-dimethoxyphenyl)urea
IUPAC Name: 1-(2-chloroethyl)-3-(2,5-dimethoxyphenyl)urea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-(2,5-dimethoxyphenyl)urea
MOLECULAR FORMULA: C11H15ClN2O3
MOLECULAR WEIGHT: 258.7014
SMILES: COC1=CC(=C(C=C1)OC)NC(=O)NCCCl
Structure:
CAS RN: 10246-36-3
CAS Name: 1-(5-chloro-2,4-dimethoxyphenyl)-3-(2-chloroethyl)urea
OPENEYE Name: 1-(5-chloro-2,4-dimethoxy-phenyl)-3-(2-chloroethyl)urea
IUPAC Name: 1-(5-chloro-2,4-dimethoxyphenyl)-3-(2-chloroethyl)urea
SYSTEMATIC NAME: 1-(5-chloranyl-2,4-dimethoxy-phenyl)-3-(2-chloroethyl)urea
MOLECULAR FORMULA: C11H14Cl2N2O3
MOLECULAR WEIGHT: 293.14646
SMILES: COC1=CC(=C(C=C1NC(=O)NCCCl)Cl)OC
Structure:
CAS RN: 102516-78-9
CAS Name: 1-(2-chloroethyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea
OPENEYE Name: 1-(2-chloroethyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea
IUPAC Name: 1-(2-chloroethyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea
MOLECULAR FORMULA: C11H12ClN3O2S
MOLECULAR WEIGHT: 285.74988
SMILES: COC1=CC2=C(C=C1)N=C(S2)NC(=O)NCCCl
Structure:
CAS RN: 1025-75-8
CAS Name: 1-(2-bromoethyl)-3-[2-(trifluoromethyl)phenyl]urea
OPENEYE Name: 1-(2-bromoethyl)-3-[2-(trifluoromethyl)phenyl]urea
IUPAC Name: 1-(2-bromoethyl)-3-[2-(trifluoromethyl)phenyl]urea
SYSTEMATIC NAME: 1-(2-bromoethyl)-3-[2-(trifluoromethyl)phenyl]urea
MOLECULAR FORMULA: C10H10BrF3N2O
MOLECULAR WEIGHT: 311.09841
SMILES: C1=CC=C(C(=C1)C(F)(F)F)NC(=O)NCCBr
Structure:
CAS RN: 102433-75-0
CAS Name: 1-(1-chloropropan-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
OPENEYE Name: 1-(2-chloro-1-methyl-ethyl)-3-tetralin-5-yl-urea
IUPAC Name: 1-(1-chloropropan-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
SYSTEMATIC NAME: 1-(1-chloranylpropan-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
MOLECULAR FORMULA: C14H19ClN2O
MOLECULAR WEIGHT: 266.76646
SMILES: CC(CCl)NC(=O)NC1=CC=CC2=C1CCCC2
Structure:
CAS RN: 102433-44-3
CAS Name: 1-(1-chlorobutan-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
OPENEYE Name: 1-[1-(chloromethyl)propyl]-3-tetralin-5-yl-urea
IUPAC Name: 1-(1-chlorobutan-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
SYSTEMATIC NAME: 1-(1-chloranylbutan-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
MOLECULAR FORMULA: C15H21ClN2O
MOLECULAR WEIGHT: 280.79304
SMILES: CCC(CCl)NC(=O)NC1=CC=CC2=C1CCCC2
Structure:
CAS RN: 10257-92-8
CAS Name: 1-(3-bromopropyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
OPENEYE Name: 1-(3-bromopropyl)-3-tetralin-5-yl-urea
IUPAC Name: 1-(3-bromopropyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
SYSTEMATIC NAME: 1-(3-bromanylpropyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
MOLECULAR FORMULA: C14H19BrN2O
MOLECULAR WEIGHT: 311.21746
SMILES: C1CCC2=C(C1)C=CC=C2NC(=O)NCCCBr
Structure:
CAS RN: 34844-19-4
CAS Name: 4,4,4-trifluoro-3-hydroxy-1-thiophen-2-yl-3-(trifluoromethyl)-1-butanone
OPENEYE Name: 4,4,4-trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)butan-1-one
IUPAC Name: 4,4,4-trifluoro-3-hydroxy-1-thiophen-2-yl-3-(trifluoromethyl)butan-1-one
SYSTEMATIC NAME: 4,4,4-tris(fluoranyl)-3-oxidanyl-1-thiophen-2-yl-3-(trifluoromethyl)butan-1-one
MOLECULAR FORMULA: C9H6F6O2S
MOLECULAR WEIGHT: 292.198159
SMILES: C1=CSC(=C1)C(=O)CC(C(F)(F)F)(C(F)(F)F)O
Structure:
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