CAS RN: 99305-89-2
CAS Name: (2S)-2-amino-3-hydroxy-5-phosphonopentanoic acid
OPENEYE Name: (2S)-2-amino-3-hydroxy-5-phosphono-pentanoic acid
IUPAC Name: (2S)-2-amino-3-hydroxy-5-phosphonopentanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-oxidanyl-5-phosphono-pentanoic acid
MOLECULAR FORMULA: C5H12NO6P
MOLECULAR WEIGHT: 213.125641
SMILES: C(CP(=O)(O)O)C([C@@H](C(=O)O)N)O
Structure:
CAS RN: 98896-86-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H32O8
MOLECULAR WEIGHT: 424.48468
SMILES: CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)(C)O)([C@]3([C@@H]([C@H]([C@H](C3=C)O2)O)O)C)COC(=O)C
Structure:
CAS RN: 97606-15-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H7NS2
MOLECULAR WEIGHT: 205.29928
SMILES: C1=C2C3C(N3)C4=CSC=C4C2=CS1
Structure:
CAS RN: 95873-63-5
CAS Name: N-[2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-2-oxoethyl]-3-pyridinecarboxamide hydrochloride
OPENEYE Name: N-[2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl]pyridine-3-carboxamide hydrochloride
IUPAC Name: N-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]pyridine-3-carboxamide hydrochloride
SYSTEMATIC NAME: N-[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]pyridine-3-carboxamide hydrochloride
MOLECULAR FORMULA: C19H20ClN5O3
MOLECULAR WEIGHT: 401.8468
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CNC(=O)C3=CN=CC=C3.Cl
Structure:
CAS RN: 94135-18-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H33N3O6
MOLECULAR WEIGHT: 459.53532
SMILES: CC[C@H]1[C@H]2C[C@H]3[C@H]4C5(C[C@@H](C2[C@H]5O)N3[C@@H]1O)C6=CC=CC=C6N4C.C([C@@H](C(=O)O)N)C(=O)O
Structure:
CAS RN: 93963-24-7
CAS Name: N-ethyl-1-(4-methoxyphenyl)-2-propanamine hydrochloride
OPENEYE Name: N-ethyl-1-(4-methoxyphenyl)propan-2-amine hydrochloride
IUPAC Name: N-ethyl-1-(4-methoxyphenyl)propan-2-amine hydrochloride
SYSTEMATIC NAME: N-ethyl-1-(4-methoxyphenyl)propan-2-amine hydrochloride
MOLECULAR FORMULA: C12H20ClNO
MOLECULAR WEIGHT: 229.7463
SMILES: CCNC(C)CC1=CC=C(C=C1)OC.Cl
Structure:
CAS RN: 93840-39-2
CAS Name: 2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-propan-2-ylphenyl)methyl]-4-propan-2-ylphenol
OPENEYE Name: 2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-isopropyl-phenyl)methyl]-4-isopropyl-phenol
IUPAC Name: 2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-propan-2-ylphenyl)methyl]-4-propan-2-ylphenol
SYSTEMATIC NAME: 2-tert-butyl-6-[(3-tert-butyl-2-oxidanyl-5-propan-2-yl-phenyl)methyl]-4-propan-2-yl-phenol
MOLECULAR FORMULA: C27H40O2
MOLECULAR WEIGHT: 396.6053
SMILES: CC(C)C1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=CC(=C2)C(C)C)C(C)(C)C)O
Structure:
CAS RN: 92078-92-7
CAS Name: N-methylnitrous amide
OPENEYE Name: N-methylnitrous amide
IUPAC Name: N-methylnitrous amide
SYSTEMATIC NAME: N-methylnitrous amide
MOLECULAR FORMULA: CH4N2O
MOLECULAR WEIGHT: 62.042078
SMILES: C[15NH][15N]=O
Structure:
CAS RN: 90961-45-8
CAS Name: 3,7-dibutyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane
OPENEYE Name: 3,7-dibutyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane
IUPAC Name: 3,7-dibutyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane
SYSTEMATIC NAME: 3,7-dibutyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane
MOLECULAR FORMULA: C17H34N2
MOLECULAR WEIGHT: 266.46526
SMILES: CCCCN1CC2CN(CC(C1)C2(C)C)CCCC
Structure:
CAS RN: 90421-79-7
CAS Name: 3-(2-oxiranylmethoxy)-1,2-benzothiazole
OPENEYE Name: 3-(oxiran-2-ylmethoxy)-1,2-benzothiazole
IUPAC Name: 3-(oxiran-2-ylmethoxy)-1,2-benzothiazole
SYSTEMATIC NAME: 3-(oxiran-2-ylmethoxy)-1,2-benzothiazole
MOLECULAR FORMULA: C10H9NO2S
MOLECULAR WEIGHT: 207.24896
SMILES: C1C(O1)COC2=NSC3=CC=CC=C32
Structure:
CAS RN: 90245-33-3
CAS Name: 1-[(ethylthio)-methoxyphosphoryl]ethane
OPENEYE Name: 1-[ethylsulfanyl(methoxy)phosphoryl]ethane
IUPAC Name: 1-[ethylsulfanyl(methoxy)phosphoryl]ethane
SYSTEMATIC NAME: 1-[ethylsulfanyl(methoxy)phosphoryl]ethane
MOLECULAR FORMULA: C5H13O2PS
MOLECULAR WEIGHT: 168.194281
SMILES: CCP(=O)(OC)SCC
Structure:
CAS RN: 90220-20-5
CAS Name: 1-[methoxy-(methylthio)phosphoryl]butane
OPENEYE Name: 1-[methoxy(methylsulfanyl)phosphoryl]butane
IUPAC Name: 1-[methoxy(methylsulfanyl)phosphoryl]butane
SYSTEMATIC NAME: 1-[methoxy(methylsulfanyl)phosphoryl]butane
MOLECULAR FORMULA: C6H15O2PS
MOLECULAR WEIGHT: 182.220861
SMILES: CCCCP(=O)(OC)SC
Structure:
CAS RN: 90220-19-2
CAS Name: 1-[methoxy-(methylthio)phosphoryl]propane
OPENEYE Name: 1-[methoxy(methylsulfanyl)phosphoryl]propane
IUPAC Name: 1-[methoxy(methylsulfanyl)phosphoryl]propane
SYSTEMATIC NAME: 1-[methoxy(methylsulfanyl)phosphoryl]propane
MOLECULAR FORMULA: C5H13O2PS
MOLECULAR WEIGHT: 168.194281
SMILES: CCCP(=O)(OC)SC
Structure:
CAS RN: 90220-18-1
CAS Name: 1-[ethyl-(methylthio)phosphoryl]oxybutane
OPENEYE Name: 1-[ethyl(methylsulfanyl)phosphoryl]oxybutane
IUPAC Name: 1-[ethyl(methylsulfanyl)phosphoryl]oxybutane
SYSTEMATIC NAME: 1-[ethyl(methylsulfanyl)phosphoryl]oxybutane
MOLECULAR FORMULA: C7H17O2PS
MOLECULAR WEIGHT: 196.247441
SMILES: CCCCOP(=O)(CC)SC
Structure:
CAS RN: 90220-17-0
CAS Name: 1-[ethyl-(methylthio)phosphoryl]oxypropane
OPENEYE Name: 1-[ethyl(methylsulfanyl)phosphoryl]oxypropane
IUPAC Name: 1-[ethyl(methylsulfanyl)phosphoryl]oxypropane
SYSTEMATIC NAME: 1-[ethyl(methylsulfanyl)phosphoryl]oxypropane
MOLECULAR FORMULA: C6H15O2PS
MOLECULAR WEIGHT: 182.220861
SMILES: CCCOP(=O)(CC)SC
Structure:
CAS RN: 90220-16-9
CAS Name: 1-[[ethyl(methoxy)phosphoryl]thio]propane
OPENEYE Name: 1-[ethyl(methoxy)phosphoryl]sulfanylpropane
IUPAC Name: 1-[ethyl(methoxy)phosphoryl]sulfanylpropane
SYSTEMATIC NAME: 1-[ethyl(methoxy)phosphoryl]sulfanylpropane
MOLECULAR FORMULA: C6H15O2PS
MOLECULAR WEIGHT: 182.220861
SMILES: CCCSP(=O)(CC)OC
Structure:
CAS RN: 90220-15-8
CAS Name: 1-[ethyl-(propylthio)phosphoryl]oxypropane
OPENEYE Name: 1-[ethyl(propylsulfanyl)phosphoryl]oxypropane
IUPAC Name: 1-[ethyl(propylsulfanyl)phosphoryl]oxypropane
SYSTEMATIC NAME: 1-[ethyl(propylsulfanyl)phosphoryl]oxypropane
MOLECULAR FORMULA: C8H19O2PS
MOLECULAR WEIGHT: 210.274021
SMILES: CCCOP(=O)(CC)SCCC
Structure:
CAS RN: 90220-14-7
CAS Name: 1-[methyl-(propylthio)phosphoryl]oxypropane
OPENEYE Name: 1-[methyl(propylsulfanyl)phosphoryl]oxypropane
IUPAC Name: 1-[methyl(propylsulfanyl)phosphoryl]oxypropane
SYSTEMATIC NAME: 1-[methyl(propylsulfanyl)phosphoryl]oxypropane
MOLECULAR FORMULA: C7H17O2PS
MOLECULAR WEIGHT: 196.247441
SMILES: CCCOP(=O)(C)SCCC
Structure:
CAS RN: 89998-97-0
CAS Name: 1-(4-chlorophenyl)-1-(3-methyl-2-benzofuranyl)-2-phenylethanol
OPENEYE Name: 1-(4-chlorophenyl)-1-(3-methylbenzofuran-2-yl)-2-phenyl-ethanol
IUPAC Name: 1-(4-chlorophenyl)-1-(3-methyl-1-benzofuran-2-yl)-2-phenylethanol
SYSTEMATIC NAME: 1-(4-chlorophenyl)-1-(3-methyl-1-benzofuran-2-yl)-2-phenyl-ethanol
MOLECULAR FORMULA: C23H19ClO2
MOLECULAR WEIGHT: 362.84876
SMILES: CC1=C(OC2=CC=CC=C12)C(CC3=CC=CC=C3)(C4=CC=C(C=C4)Cl)O
Structure:
CAS RN: 89795-79-9
CAS Name: 1,2-benzothiazol-7-amine
OPENEYE Name: 1,2-benzothiazol-7-amine
IUPAC Name: 1,2-benzothiazol-7-amine
SYSTEMATIC NAME: 1,2-benzothiazol-7-amine
MOLECULAR FORMULA: C7H6N2S
MOLECULAR WEIGHT: 150.20094
SMILES: C1=CC2=C(C(=C1)N)SN=C2
Structure:
CAS RN: 89641-97-4
CAS Name: 7-nitro-1,2-benzothiazole
OPENEYE Name: 7-nitro-1,2-benzothiazole
IUPAC Name: 7-nitro-1,2-benzothiazole
SYSTEMATIC NAME: 7-nitro-1,2-benzothiazole
MOLECULAR FORMULA: C7H4N2O2S
MOLECULAR WEIGHT: 180.18386
SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])SN=C2
Structure:
CAS RN: 89427-48-5
CAS Name: N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]propanamide
OPENEYE Name: N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]propanamide
IUPAC Name: N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]propanamide
SYSTEMATIC NAME: N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]propanamide
MOLECULAR FORMULA: C11H10F3N3O
MOLECULAR WEIGHT: 257.21181
SMILES: CCC(=O)NC1=CC2=C(C=C1)N=C(N2)C(F)(F)F
Structure:
CAS RN: 89427-45-2
CAS Name: 4,5,6,7-tetramethyl-2-(trifluoromethyl)-1H-benzimidazole
OPENEYE Name: 4,5,6,7-tetramethyl-2-(trifluoromethyl)-1H-benzimidazole
IUPAC Name: 4,5,6,7-tetramethyl-2-(trifluoromethyl)-1H-benzimidazole
SYSTEMATIC NAME: 4,5,6,7-tetramethyl-2-(trifluoromethyl)-1H-benzimidazole
MOLECULAR FORMULA: C12H13F3N2
MOLECULAR WEIGHT: 242.24023
SMILES: CC1=C(C(=C2C(=C1C)NC(=N2)C(F)(F)F)C)C
Structure:
CAS RN: 89427-44-1
CAS Name: 5,6,7-trichloro-2-(trifluoromethyl)-1H-benzimidazole-4-sulfonamide
OPENEYE Name: 5,6,7-trichloro-2-(trifluoromethyl)-1H-benzimidazole-4-sulfonamide
IUPAC Name: 5,6,7-trichloro-2-(trifluoromethyl)-1H-benzimidazole-4-sulfonamide
SYSTEMATIC NAME: 5,6,7-tris(chloranyl)-2-(trifluoromethyl)-1H-benzimidazole-4-sulfonamide
MOLECULAR FORMULA: C8H3Cl3F3N3O2S
MOLECULAR WEIGHT: 368.54753
SMILES: C12=C(C(=C(C(=C1Cl)Cl)Cl)S(=O)(=O)N)N=C(N2)C(F)(F)F
Structure:
CAS RN: 89427-40-7
CAS Name: 5-chloro-6-methyl-4,7-dinitro-2-(trifluoromethyl)-1H-benzimidazole
OPENEYE Name: 5-chloro-6-methyl-4,7-dinitro-2-(trifluoromethyl)-1H-benzimidazole
IUPAC Name: 5-chloro-6-methyl-4,7-dinitro-2-(trifluoromethyl)-1H-benzimidazole
SYSTEMATIC NAME: 5-chloranyl-6-methyl-4,7-dinitro-2-(trifluoromethyl)-1H-benzimidazole
MOLECULAR FORMULA: C9H4ClF3N4O4
MOLECULAR WEIGHT: 324.60067
SMILES: CC1=C(C2=C(C(=C1Cl)[N+](=O)[O-])N=C(N2)C(F)(F)F)[N+](=O)[O-]
Structure:
CAS RN: 89427-39-4
CAS Name: 4,6,7-trichloro-5-methoxy-2-(trifluoromethyl)-1H-benzimidazole
OPENEYE Name: 4,6,7-trichloro-5-methoxy-2-(trifluoromethyl)-1H-benzimidazole
IUPAC Name: 4,6,7-trichloro-5-methoxy-2-(trifluoromethyl)-1H-benzimidazole
SYSTEMATIC NAME: 4,6,7-tris(chloranyl)-5-methoxy-2-(trifluoromethyl)-1H-benzimidazole
MOLECULAR FORMULA: C9H4Cl3F3N2O
MOLECULAR WEIGHT: 319.49507
SMILES: COC1=C(C2=C(C(=C1Cl)Cl)NC(=N2)C(F)(F)F)Cl
Structure:
CAS RN: 89427-38-3
CAS Name: 6,7-dibromo-5-chloro-4-methyl-2-(trifluoromethyl)-1H-benzimidazole
OPENEYE Name: 6,7-dibromo-5-chloro-4-methyl-2-(trifluoromethyl)-1H-benzimidazole
IUPAC Name: 6,7-dibromo-5-chloro-4-methyl-2-(trifluoromethyl)-1H-benzimidazole
SYSTEMATIC NAME: 6,7-bis(bromanyl)-5-chloranyl-4-methyl-2-(trifluoromethyl)-1H-benzimidazole
MOLECULAR FORMULA: C9H4Br2ClF3N2
MOLECULAR WEIGHT: 392.39767
SMILES: CC1=C2C(=C(C(=C1Cl)Br)Br)NC(=N2)C(F)(F)F
Structure:
CAS RN: 89427-37-2
CAS Name: 6-bromo-5,7-dichloro-4-methyl-2-(trifluoromethyl)-1H-benzimidazole
OPENEYE Name: 6-bromo-5,7-dichloro-4-methyl-2-(trifluoromethyl)-1H-benzimidazole
IUPAC Name: 6-bromo-5,7-dichloro-4-methyl-2-(trifluoromethyl)-1H-benzimidazole
SYSTEMATIC NAME: 6-bromanyl-5,7-bis(chloranyl)-4-methyl-2-(trifluoromethyl)-1H-benzimidazole
MOLECULAR FORMULA: C9H4BrCl2F3N2
MOLECULAR WEIGHT: 347.94667
SMILES: CC1=C2C(=C(C(=C1Cl)Br)Cl)NC(=N2)C(F)(F)F
Structure:
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