CAS RN: 85850-90-4
CAS Name: 3-[(6-ethyl-5-phenyl-2-benzo[b][1]benzothiepinyl)oxy]propane-1,2-diol
OPENEYE Name: 3-(6-ethyl-5-phenyl-benzo[b][1]benzothiepin-2-yl)oxypropane-1,2-diol
IUPAC Name: 3-(6-ethyl-5-phenylbenzo[b][1]benzothiepin-2-yl)oxypropane-1,2-diol
SYSTEMATIC NAME: 3-(6-ethyl-5-phenyl-benzo[b][1]benzothiepin-2-yl)oxypropane-1,2-diol
MOLECULAR FORMULA: C25H24O3S
MOLECULAR WEIGHT: 404.52126
SMILES: CCC1=C(C2=C(C=C(C=C2)OCC(CO)O)SC3=CC=CC=C31)C4=CC=CC=C4
Structure:
CAS RN: 85850-89-1
CAS Name: 3-[(6-ethyl-5-phenyl-2-benzo[b][1]benzoxepinyl)oxy]propane-1,2-diol
OPENEYE Name: 3-(6-ethyl-5-phenyl-benzo[b][1]benzoxepin-2-yl)oxypropane-1,2-diol
IUPAC Name: 3-(6-ethyl-5-phenylbenzo[b][1]benzoxepin-2-yl)oxypropane-1,2-diol
SYSTEMATIC NAME: 3-(6-ethyl-5-phenyl-benzo[b][1]benzoxepin-2-yl)oxypropane-1,2-diol
MOLECULAR FORMULA: C25H24O4
MOLECULAR WEIGHT: 388.45566
SMILES: CCC1=C(C2=C(C=C(C=C2)OCC(CO)O)OC3=CC=CC=C31)C4=CC=CC=C4
Structure:
CAS RN: 85850-88-0
CAS Name: 4-[(11Z)-11-ethyl-3-prop-2-enoxy-6H-benzo[c][1]benzothiocin-12-yl]phenol
OPENEYE Name: 4-[(11Z)-3-allyloxy-11-ethyl-6H-benzo[c][1]benzothiocin-12-yl]phenol
IUPAC Name: 4-[(11Z)-11-ethyl-3-prop-2-enoxy-6H-benzo[c][1]benzothiocin-12-yl]phenol
SYSTEMATIC NAME: 4-[(11Z)-11-ethyl-3-prop-2-enoxy-6H-benzo[c][1]benzothiocin-12-yl]phenol
MOLECULAR FORMULA: C26H24O2S
MOLECULAR WEIGHT: 400.53256
SMILES: CC/C/1=C(/C2=C(C=C(C=C2)OCC=C)SCC3=CC=CC=C31)\C4=CC=C(C=C4)O
Structure:
CAS RN: 85850-87-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H26O2
MOLECULAR WEIGHT: 382.49414
SMILES: CC/C/1=C(/C2=C(CCC3=CC=CC=C31)C=C(C=C2)OCC=C)\C4=CC=C(C=C4)O
Structure:
CAS RN: 85850-86-8
CAS Name: 4-(6-ethyl-2-prop-2-enoxy-5-benzo[b][1]benzothiepinyl)phenol
OPENEYE Name: 4-(2-allyloxy-6-ethyl-benzo[b][1]benzothiepin-5-yl)phenol
IUPAC Name: 4-(6-ethyl-2-prop-2-enoxybenzo[b][1]benzothiepin-5-yl)phenol
SYSTEMATIC NAME: 4-(6-ethyl-2-prop-2-enoxy-benzo[b][1]benzothiepin-5-yl)phenol
MOLECULAR FORMULA: C25H22O2S
MOLECULAR WEIGHT: 386.50598
SMILES: CCC1=C(C2=C(C=C(C=C2)OCC=C)SC3=CC=CC=C31)C4=CC=C(C=C4)O
Structure:
CAS RN: 85850-85-7
CAS Name: 4-(6-ethyl-2-prop-2-enoxy-5-benzo[b][1]benzoxepinyl)phenol
OPENEYE Name: 4-(2-allyloxy-6-ethyl-benzo[b][1]benzoxepin-5-yl)phenol
IUPAC Name: 4-(6-ethyl-2-prop-2-enoxybenzo[b][1]benzoxepin-5-yl)phenol
SYSTEMATIC NAME: 4-(6-ethyl-2-prop-2-enoxy-benzo[b][1]benzoxepin-5-yl)phenol
MOLECULAR FORMULA: C25H22O3
MOLECULAR WEIGHT: 370.44038
SMILES: CCC1=C(C2=C(C=C(C=C2)OCC=C)OC3=CC=CC=C31)C4=CC=C(C=C4)O
Structure:
CAS RN: 85850-81-3
CAS Name: 4-[(11Z)-3-[2-(dimethylamino)ethoxy]-11-ethyl-6H-benzo[c][1]benzothiocin-12-yl]phenol
OPENEYE Name: 4-[(11Z)-3-[2-(dimethylamino)ethoxy]-11-ethyl-6H-benzo[c][1]benzothiocin-12-yl]phenol
IUPAC Name: 4-[(11Z)-3-[2-(dimethylamino)ethoxy]-11-ethyl-6H-benzo[c][1]benzothiocin-12-yl]phenol
SYSTEMATIC NAME: 4-[(11Z)-3-[2-(dimethylamino)ethoxy]-11-ethyl-6H-benzo[c][1]benzothiocin-12-yl]phenol
MOLECULAR FORMULA: C27H29NO2S
MOLECULAR WEIGHT: 431.58966
SMILES: CC/C/1=C(/C2=C(C=C(C=C2)OCCN(C)C)SCC3=CC=CC=C31)\C4=CC=C(C=C4)O
Structure:
CAS RN: 85850-80-2
CAS Name: 4-[2-[2-(dimethylamino)ethoxy]-6-ethyl-5-benzo[b][1]benzoxepinyl]phenol
OPENEYE Name: 4-[2-[2-(dimethylamino)ethoxy]-6-ethyl-benzo[b][1]benzoxepin-5-yl]phenol
IUPAC Name: 4-[2-[2-(dimethylamino)ethoxy]-6-ethylbenzo[b][1]benzoxepin-5-yl]phenol
SYSTEMATIC NAME: 4-[2-[2-(dimethylamino)ethoxy]-6-ethyl-benzo[b][1]benzoxepin-5-yl]phenol
MOLECULAR FORMULA: C26H27NO3
MOLECULAR WEIGHT: 401.49748
SMILES: CCC1=C(C2=C(C=C(C=C2)OCCN(C)C)OC3=CC=CC=C31)C4=CC=C(C=C4)O
Structure:
CAS RN: 85850-75-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H31NO2
MOLECULAR WEIGHT: 413.55124
SMILES: CC/C/1=C(/C2=C(CCC3=CC=CC=C31)C=C(C=C2)OCCN(C)C)\C4=CC=C(C=C4)O
Structure:
CAS RN: 85850-74-4
CAS Name: 4-[2-[2-(dimethylamino)ethoxy]-6-ethyl-5-benzo[b][1]benzothiepinyl]phenol
OPENEYE Name: 4-[2-[2-(dimethylamino)ethoxy]-6-ethyl-benzo[b][1]benzothiepin-5-yl]phenol
IUPAC Name: 4-[2-[2-(dimethylamino)ethoxy]-6-ethylbenzo[b][1]benzothiepin-5-yl]phenol
SYSTEMATIC NAME: 4-[2-[2-(dimethylamino)ethoxy]-6-ethyl-benzo[b][1]benzothiepin-5-yl]phenol
MOLECULAR FORMULA: C26H27NO2S
MOLECULAR WEIGHT: 417.56308
SMILES: CCC1=C(C2=C(C=C(C=C2)OCCN(C)C)SC3=CC=CC=C31)C4=CC=C(C=C4)O
Structure:
CAS RN: 85844-94-6
CAS Name: 4-[(5-chloro-2-methoxy-4-nitrophenyl)sulfonylamino]butanoic acid
OPENEYE Name: 4-[(5-chloro-2-methoxy-4-nitro-phenyl)sulfonylamino]butanoic acid
IUPAC Name: 4-[(5-chloro-2-methoxy-4-nitrophenyl)sulfonylamino]butanoic acid
SYSTEMATIC NAME: 4-[(5-chloranyl-2-methoxy-4-nitro-phenyl)sulfonylamino]butanoic acid
MOLECULAR FORMULA: C11H13ClN2O7S
MOLECULAR WEIGHT: 352.74812
SMILES: COC1=C(C=C(C(=C1)[N+](=O)[O-])Cl)S(=O)(=O)NCCCC(=O)O
Structure:
CAS RN: 85844-78-6
CAS Name: 11-[(4-methoxyphenyl)sulfonylamino]undecanoic acid ethyl ester
OPENEYE Name: ethyl 11-[(4-methoxyphenyl)sulfonylamino]undecanoate
IUPAC Name: ethyl 11-[(4-methoxyphenyl)sulfonylamino]undecanoate
SYSTEMATIC NAME: ethyl 11-[(4-methoxyphenyl)sulfonylamino]undecanoate
MOLECULAR FORMULA: C20H33NO5S
MOLECULAR WEIGHT: 399.54472
SMILES: CCOC(=O)CCCCCCCCCCNS(=O)(=O)C1=CC=C(C=C1)OC
Structure:
CAS RN: 85844-69-5
CAS Name: 11-[(3-nitrophenyl)sulfonylamino]undecanoic acid ethyl ester
OPENEYE Name: ethyl 11-[(3-nitrophenyl)sulfonylamino]undecanoate
IUPAC Name: ethyl 11-[(3-nitrophenyl)sulfonylamino]undecanoate
SYSTEMATIC NAME: ethyl 11-[(3-nitrophenyl)sulfonylamino]undecanoate
MOLECULAR FORMULA: C19H30N2O6S
MOLECULAR WEIGHT: 414.5163
SMILES: CCOC(=O)CCCCCCCCCCNS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-]
Structure:
CAS RN: 85844-56-0
CAS Name: 11-[(5-chloro-2-methoxy-4-nitrophenyl)sulfonylamino]undecanoic acid ethyl ester
OPENEYE Name: ethyl 11-[(5-chloro-2-methoxy-4-nitro-phenyl)sulfonylamino]undecanoate
IUPAC Name: ethyl 11-[(5-chloro-2-methoxy-4-nitrophenyl)sulfonylamino]undecanoate
SYSTEMATIC NAME: ethyl 11-[(5-chloranyl-2-methoxy-4-nitro-phenyl)sulfonylamino]undecanoate
MOLECULAR FORMULA: C20H31ClN2O7S
MOLECULAR WEIGHT: 478.98734
SMILES: CCOC(=O)CCCCCCCCCCNS(=O)(=O)C1=C(C=C(C(=C1)Cl)[N+](=O)[O-])OC
Structure:
CAS RN: 85826-41-1
CAS Name: 6-chloro-5-(2,3-dibromopropyl)-2-methyl-N-(phenylmethyl)-4-pyrimidinamine
OPENEYE Name: N-benzyl-6-chloro-5-(2,3-dibromopropyl)-2-methyl-pyrimidin-4-amine
IUPAC Name: N-benzyl-6-chloro-5-(2,3-dibromopropyl)-2-methylpyrimidin-4-amine
SYSTEMATIC NAME: 5-[2,3-bis(bromanyl)propyl]-6-chloranyl-2-methyl-N-(phenylmethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C15H16Br2ClN3
MOLECULAR WEIGHT: 433.56864
SMILES: CC1=NC(=C(C(=N1)Cl)CC(CBr)Br)NCC2=CC=CC=C2
Structure:
CAS RN: 85826-40-0
CAS Name: 2-[[6-chloro-5-(2,3-dibromopropyl)-2-methyl-4-pyrimidinyl]amino]ethanol
OPENEYE Name: 2-[[6-chloro-5-(2,3-dibromopropyl)-2-methyl-pyrimidin-4-yl]amino]ethanol
IUPAC Name: 2-[[6-chloro-5-(2,3-dibromopropyl)-2-methylpyrimidin-4-yl]amino]ethanol
SYSTEMATIC NAME: 2-[[5-[2,3-bis(bromanyl)propyl]-6-chloranyl-2-methyl-pyrimidin-4-yl]amino]ethanol
MOLECULAR FORMULA: C10H14Br2ClN3O
MOLECULAR WEIGHT: 387.49866
SMILES: CC1=NC(=C(C(=N1)Cl)CC(CBr)Br)NCCO
Structure:
CAS RN: 85826-39-7
CAS Name: 6-chloro-5-(2,3-dibromopropyl)-N,2-dimethyl-4-pyrimidinamine
OPENEYE Name: 6-chloro-5-(2,3-dibromopropyl)-N,2-dimethyl-pyrimidin-4-amine
IUPAC Name: 6-chloro-5-(2,3-dibromopropyl)-N,2-dimethylpyrimidin-4-amine
SYSTEMATIC NAME: 5-[2,3-bis(bromanyl)propyl]-6-chloranyl-N,2-dimethyl-pyrimidin-4-amine
MOLECULAR FORMULA: C9H12Br2ClN3
MOLECULAR WEIGHT: 357.47268
SMILES: CC1=NC(=C(C(=N1)Cl)CC(CBr)Br)NC
Structure:
CAS RN: 85826-38-6
CAS Name: 6-chloro-5-(2,3-dibromopropyl)-2-methyl-4-pyrimidinamine
OPENEYE Name: 6-chloro-5-(2,3-dibromopropyl)-2-methyl-pyrimidin-4-amine
IUPAC Name: 6-chloro-5-(2,3-dibromopropyl)-2-methylpyrimidin-4-amine
SYSTEMATIC NAME: 5-[2,3-bis(bromanyl)propyl]-6-chloranyl-2-methyl-pyrimidin-4-amine
MOLECULAR FORMULA: C8H10Br2ClN3
MOLECULAR WEIGHT: 343.4461
SMILES: CC1=NC(=C(C(=N1)Cl)CC(CBr)Br)N
Structure:
CAS RN: 85826-35-3
CAS Name: 6-chloro-N,2-dimethyl-5-prop-2-enyl-4-pyrimidinamine
OPENEYE Name: 5-allyl-6-chloro-N,2-dimethyl-pyrimidin-4-amine
IUPAC Name: 6-chloro-N,2-dimethyl-5-prop-2-enylpyrimidin-4-amine
SYSTEMATIC NAME: 6-chloranyl-N,2-dimethyl-5-prop-2-enyl-pyrimidin-4-amine
MOLECULAR FORMULA: C9H12ClN3
MOLECULAR WEIGHT: 197.66468
SMILES: CC1=NC(=C(C(=N1)Cl)CC=C)NC
Structure:
CAS RN: 85825-46-3
CAS Name: 2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate
IUPAC Name: ethyl 2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 2-methyl-5-oxidanylidene-4-[3-(trifluoromethyl)phenyl]-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate
MOLECULAR FORMULA: C18H16F3NO4
MOLECULAR WEIGHT: 367.31915
SMILES: CCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)C(F)(F)F)C(=O)OC2)C
Structure:
CAS RN: 85811-01-4
CAS Name: [6-benzoyl-1,4-bis(5-propyl-1,3,4-thiadiazol-2-yl)-1,2,4,5-tetrazin-3-yl]-phenylmethanone
OPENEYE Name: [6-benzoyl-1,4-bis(5-propyl-1,3,4-thiadiazol-2-yl)-1,2,4,5-tetrazin-3-yl]-phenyl-methanone
IUPAC Name: [6-benzoyl-1,4-bis(5-propyl-1,3,4-thiadiazol-2-yl)-1,2,4,5-tetrazin-3-yl]-phenylmethanone
SYSTEMATIC NAME: phenyl-[6-(phenylcarbonyl)-1,4-bis(5-propyl-1,3,4-thiadiazol-2-yl)-1,2,4,5-tetrazin-3-yl]methanone
MOLECULAR FORMULA: C26H24N8O2S2
MOLECULAR WEIGHT: 544.65116
SMILES: CCCC1=NN=C(S1)N2C(=NN(C(=N2)C(=O)C3=CC=CC=C3)C4=NN=C(S4)CCC)C(=O)C5=CC=CC=C5
Structure:
CAS RN: 85811-00-3
CAS Name: [6-benzoyl-1,4-bis(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2,4,5-tetrazin-3-yl]-phenylmethanone
OPENEYE Name: [6-benzoyl-1,4-bis(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2,4,5-tetrazin-3-yl]-phenyl-methanone
IUPAC Name: [6-benzoyl-1,4-bis(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2,4,5-tetrazin-3-yl]-phenylmethanone
SYSTEMATIC NAME: [1,4-bis(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(phenylcarbonyl)-1,2,4,5-tetrazin-3-yl]-phenyl-methanone
MOLECULAR FORMULA: C24H20N8O2S2
MOLECULAR WEIGHT: 516.598
SMILES: CCC1=NN=C(S1)N2C(=NN(C(=N2)C(=O)C3=CC=CC=C3)C4=NN=C(S4)CC)C(=O)C5=CC=CC=C5
Structure:
CAS RN: 85810-99-7
CAS Name: [6-benzoyl-1,4-bis(5-methyl-1,3,4-thiadiazol-2-yl)-1,2,4,5-tetrazin-3-yl]-phenylmethanone
OPENEYE Name: [6-benzoyl-1,4-bis(5-methyl-1,3,4-thiadiazol-2-yl)-1,2,4,5-tetrazin-3-yl]-phenyl-methanone
IUPAC Name: [6-benzoyl-1,4-bis(5-methyl-1,3,4-thiadiazol-2-yl)-1,2,4,5-tetrazin-3-yl]-phenylmethanone
SYSTEMATIC NAME: [1,4-bis(5-methyl-1,3,4-thiadiazol-2-yl)-6-(phenylcarbonyl)-1,2,4,5-tetrazin-3-yl]-phenyl-methanone
MOLECULAR FORMULA: C22H16N8O2S2
MOLECULAR WEIGHT: 488.54484
SMILES: CC1=NN=C(S1)N2C(=NN(C(=N2)C(=O)C3=CC=CC=C3)C4=NN=C(S4)C)C(=O)C5=CC=CC=C5
Structure:
CAS RN: 85810-98-6
CAS Name: [6-benzoyl-1,4-bis(1,3,4-thiadiazol-2-yl)-1,2,4,5-tetrazin-3-yl]-phenylmethanone
OPENEYE Name: [6-benzoyl-1,4-bis(1,3,4-thiadiazol-2-yl)-1,2,4,5-tetrazin-3-yl]-phenyl-methanone
IUPAC Name: [6-benzoyl-1,4-bis(1,3,4-thiadiazol-2-yl)-1,2,4,5-tetrazin-3-yl]-phenylmethanone
SYSTEMATIC NAME: phenyl-[6-(phenylcarbonyl)-1,4-bis(1,3,4-thiadiazol-2-yl)-1,2,4,5-tetrazin-3-yl]methanone
MOLECULAR FORMULA: C20H12N8O2S2
MOLECULAR WEIGHT: 460.49168
SMILES: C1=CC=C(C=C1)C(=O)C2=NN(C(=NN2C3=NN=CS3)C(=O)C4=CC=CC=C4)C5=NN=CS5
Structure:
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