CAS RN: 125220-08-8
CAS Name: 4-methyl-3,3-dioxo-11a-(phenylmethyl)sulfinyl-2,5,5a,11b-tetrahydro-1H-naphtho[3,2-e][1]benzothiole-6,11-dione
OPENEYE Name: 11a-benzylsulfinyl-4-methyl-3,3-dioxo-2,5,5a,11b-tetrahydro-1H-naphtho[3,2-e]benzothiophene-6,11-dione
IUPAC Name: 11a-benzylsulfinyl-4-methyl-3,3-dioxo-2,5,5a,11b-tetrahydro-1H-naphtho[3,2-e][1]benzothiole-6,11-dione
SYSTEMATIC NAME: 4-methyl-3,3-bis(oxidanylidene)-11a-(phenylmethyl)sulfinyl-2,5,5a,11b-tetrahydro-1H-naphtho[3,2-e][1]benzothiole-6,11-dione
MOLECULAR FORMULA: C24H22O5S2
MOLECULAR WEIGHT: 454.55848
SMILES: CC1=C2C(CCS2(=O)=O)C3(C(C1)C(=O)C4=CC=CC=C4C3=O)S(=O)CC5=CC=CC=C5
Structure:
CAS RN: 125220-00-0
CAS Name: acetic acid 2-[(6,9-diacetyloxy-4-methyl-3,3-dioxo-1,2,5,9b-tetrahydrobenzo[e][1]benzothiol-8-yl)thio]ethyl ester
OPENEYE Name: 2-[(6,9-diacetoxy-4-methyl-3,3-dioxo-1,2,5,9b-tetrahydrobenzo[e]benzothiophen-8-yl)sulfanyl]ethyl acetate
IUPAC Name: 2-[(6,9-diacetyloxy-4-methyl-3,3-dioxo-1,2,5,9b-tetrahydrobenzo[e][1]benzothiol-8-yl)sulfanyl]ethyl acetate
SYSTEMATIC NAME: 2-[[6,9-diacetyloxy-4-methyl-3,3-bis(oxidanylidene)-1,2,5,9b-tetrahydrobenzo[e][1]benzothiol-8-yl]sulfanyl]ethyl ethanoate
MOLECULAR FORMULA: C21H24O8S2
MOLECULAR WEIGHT: 468.54046
SMILES: CC1=C2C(CCS2(=O)=O)C3=C(C1)C(=CC(=C3OC(=O)C)SCCOC(=O)C)OC(=O)C
Structure:
CAS RN: 125219-99-0
CAS Name: 8-(2-hydroxyethylthio)-4-methyl-3,3-dioxo-1,2,5,5a,9a,9b-hexahydrobenzo[e][1]benzothiole-6,9-dione
OPENEYE Name: 8-(2-hydroxyethylsulfanyl)-4-methyl-3,3-dioxo-1,2,5,5a,9a,9b-hexahydrobenzo[e]benzothiophene-6,9-dione
IUPAC Name: 8-(2-hydroxyethylsulfanyl)-4-methyl-3,3-dioxo-1,2,5,5a,9a,9b-hexahydrobenzo[e][1]benzothiole-6,9-dione
SYSTEMATIC NAME: 8-(2-hydroxyethylsulfanyl)-4-methyl-3,3-bis(oxidanylidene)-1,2,5,5a,9a,9b-hexahydrobenzo[e][1]benzothiole-6,9-dione
MOLECULAR FORMULA: C15H18O5S2
MOLECULAR WEIGHT: 342.43042
SMILES: CC1=C2C(CCS2(=O)=O)C3C(C1)C(=O)C=C(C3=O)SCCO
Structure:
CAS RN: 125219-84-3
CAS Name: 4-methyl-3,3-dioxo-1,2,5,9b-tetrahydrobenzo[e][1]benzothiole-6,9-dione
OPENEYE Name: 4-methyl-3,3-dioxo-1,2,5,9b-tetrahydrobenzo[e]benzothiophene-6,9-dione
IUPAC Name: 4-methyl-3,3-dioxo-1,2,5,9b-tetrahydrobenzo[e][1]benzothiole-6,9-dione
SYSTEMATIC NAME: 4-methyl-3,3-bis(oxidanylidene)-1,2,5,9b-tetrahydrobenzo[e][1]benzothiole-6,9-dione
MOLECULAR FORMULA: C13H12O4S
MOLECULAR WEIGHT: 264.29698
SMILES: CC1=C2C(CCS2(=O)=O)C3=C(C1)C(=O)C=CC3=O
Structure:
CAS RN: 125209-42-9
CAS Name: 3-thiazolidinecarbothioic acid S-(4-oxo-9-pyrido[1,2-a]pyrimidinyl) ester
OPENEYE Name: S-(4-oxopyrido[1,2-a]pyrimidin-9-yl) thiazolidine-3-carbothioate
IUPAC Name: S-(4-oxopyrido[1,2-a]pyrimidin-9-yl) 1,3-thiazolidine-3-carbothioate
SYSTEMATIC NAME: S-(4-oxidanylidenepyrido[1,2-a]pyrimidin-9-yl) 1,3-thiazolidine-3-carbothioate
MOLECULAR FORMULA: C12H11N3O2S2
MOLECULAR WEIGHT: 293.36464
SMILES: C1CSCN1C(=O)SC2=CC=CN3C2=NC=CC3=O
Structure:
CAS RN: 125209-40-7
CAS Name: 4-oxo-9-[[oxo(3-thiazolidinyl)methyl]thio]-3-pyrido[1,2-a]pyrimidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-oxo-9-(thiazolidine-3-carbonylsulfanyl)pyrido[1,2-a]pyrimidine-3-carboxylate
IUPAC Name: ethyl 4-oxo-9-(1,3-thiazolidine-3-carbonylsulfanyl)pyrido[1,2-a]pyrimidine-3-carboxylate
SYSTEMATIC NAME: ethyl 4-oxidanylidene-9-(1,3-thiazolidin-3-ylcarbonylsulfanyl)pyrido[1,2-a]pyrimidine-3-carboxylate
MOLECULAR FORMULA: C15H15N3O4S2
MOLECULAR WEIGHT: 365.4273
SMILES: CCOC(=O)C1=CN=C2C(=CC=CN2C1=O)SC(=O)N3CCSC3
Structure:
CAS RN: 125209-33-8
CAS Name: 4-thiomorpholinecarbothioic acid S-(4-oxo-9-pyrido[1,2-a]pyrimidinyl) ester
OPENEYE Name: S-(4-oxopyrido[1,2-a]pyrimidin-9-yl) thiomorpholine-4-carbothioate
IUPAC Name: S-(4-oxopyrido[1,2-a]pyrimidin-9-yl) thiomorpholine-4-carbothioate
SYSTEMATIC NAME: S-(4-oxidanylidenepyrido[1,2-a]pyrimidin-9-yl) thiomorpholine-4-carbothioate
MOLECULAR FORMULA: C13H13N3O2S2
MOLECULAR WEIGHT: 307.39122
SMILES: C1CSCCN1C(=O)SC2=CC=CN3C2=NC=CC3=O
Structure:
CAS RN: 125197-24-2
CAS Name: 7-[(3R,4S)-3-amino-4-methyl-1-pyrrolidinyl]-1-tert-butyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid; methanesulfonic acid
OPENEYE Name: 7-[(3R,4S)-3-amino-4-methyl-pyrrolidin-1-yl]-1-tert-butyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid; methanesulfonic acid
IUPAC Name: 7-[(3R,4S)-3-amino-4-methylpyrrolidin-1-yl]-1-tert-butyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid; methanesulfonic acid
SYSTEMATIC NAME: 7-[(3R,4S)-3-azanyl-4-methyl-pyrrolidin-1-yl]-1-tert-butyl-6-fluoranyl-4-oxidanylidene-1,8-naphthyridine-3-carboxylic acid; methanesulfonic acid
MOLECULAR FORMULA: C19H27FN4O6S
MOLECULAR WEIGHT: 458.504283
SMILES: C[C@H]1CN(C[C@@H]1N)C2=C(C=C3C(=O)C(=CN(C3=N2)C(C)(C)C)C(=O)O)F.CS(=O)(=O)O
Structure:
CAS RN: 125197-22-0
CAS Name: 7-[(3R,4R)-3-amino-4-methyl-1-pyrrolidinyl]-1-tert-butyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid; methanesulfonic acid
OPENEYE Name: 7-[(3R,4R)-3-amino-4-methyl-pyrrolidin-1-yl]-1-tert-butyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid; methanesulfonic acid
IUPAC Name: 7-[(3R,4R)-3-amino-4-methylpyrrolidin-1-yl]-1-tert-butyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid; methanesulfonic acid
SYSTEMATIC NAME: 7-[(3R,4R)-3-azanyl-4-methyl-pyrrolidin-1-yl]-1-tert-butyl-6-fluoranyl-4-oxidanylidene-1,8-naphthyridine-3-carboxylic acid; methanesulfonic acid
MOLECULAR FORMULA: C19H27FN4O6S
MOLECULAR WEIGHT: 458.504283
SMILES: C[C@@H]1CN(C[C@@H]1N)C2=C(C=C3C(=O)C(=CN(C3=N2)C(C)(C)C)C(=O)O)F.CS(=O)(=O)O
Structure:
CAS RN: 125161-50-4
CAS Name: butanoic acid [(2R,3S,4S,5R,6R)-3,4,5,6-tetrakis(1-oxobutoxy)-2-oxanyl]methyl ester
OPENEYE Name: [(2R,3S,4S,5R,6R)-3,4,5,6-tetra(butanoyloxy)tetrahydropyran-2-yl]methyl butanoate
IUPAC Name: [(2R,3S,4S,5R,6R)-3,4,5,6-tetra(butanoyloxy)oxan-2-yl]methyl butanoate
SYSTEMATIC NAME: [(2R,3S,4S,5R,6R)-3,4,5,6-tetra(butanoyloxy)oxan-2-yl]methyl butanoate
MOLECULAR FORMULA: C26H42O11
MOLECULAR WEIGHT: 530.60508
SMILES: CCCC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC(=O)CCC)OC(=O)CCC)OC(=O)CCC)OC(=O)CCC
Structure:
CAS RN: 125161-49-1
CAS Name: butanoic acid [(2R)-2-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-(1-oxobutoxy)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-(1-oxobutoxy)ethyl] ester
OPENEYE Name: [(2R)-2-[(3aR,5R,6S,6aR)-6-butanoyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-butanoyloxy-ethyl] butanoate
IUPAC Name: [(2R)-2-[(3aR,5R,6S,6aR)-6-butanoyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-butanoyloxyethyl] butanoate
SYSTEMATIC NAME: [(2R)-2-[(3aR,5R,6S,6aR)-6-butanoyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-butanoyloxy-ethyl] butanoate
MOLECULAR FORMULA: C21H34O9
MOLECULAR WEIGHT: 430.48926
SMILES: CCCC(=O)OC[C@H]([C@@H]1[C@@H]([C@@H]2[C@H](O1)OC(O2)(C)C)OC(=O)CCC)OC(=O)CCC
Structure:
CAS RN: 125103-57-3
CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-N,N-di(propan-2-yl)acetamide
OPENEYE Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N,N-diisopropyl-acetamide
IUPAC Name: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N,N-di(propan-2-yl)acetamide
SYSTEMATIC NAME: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N,N-di(propan-2-yl)ethanamide
MOLECULAR FORMULA: C19H27N3O
MOLECULAR WEIGHT: 313.43718
SMILES: CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)N(C(C)C)C(C)C
Structure:
CAS RN: 125103-56-2
CAS Name: N-butyl-2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)acetamide
OPENEYE Name: N-butyl-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide
IUPAC Name: N-butyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
SYSTEMATIC NAME: N-butyl-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanamide
MOLECULAR FORMULA: C17H23N3O
MOLECULAR WEIGHT: 285.38402
SMILES: CCCCNC(=O)CC1=C(N(N=C1C)C2=CC=CC=C2)C
Structure:
CAS RN: 125103-55-1
CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-(1-piperidinyl)ethanone
OPENEYE Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-(1-piperidyl)ethanone
IUPAC Name: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-piperidin-1-ylethanone
SYSTEMATIC NAME: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-piperidin-1-yl-ethanone
MOLECULAR FORMULA: C18H23N3O
MOLECULAR WEIGHT: 297.39472
SMILES: CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)N3CCCCC3
Structure:
CAS RN: 125103-54-0
CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-(4-morpholinyl)ethanone
OPENEYE Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-morpholino-ethanone
IUPAC Name: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-morpholin-4-ylethanone
SYSTEMATIC NAME: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-morpholin-4-yl-ethanone
MOLECULAR FORMULA: C17H21N3O2
MOLECULAR WEIGHT: 299.36754
SMILES: CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)N3CCOCC3
Structure:
CAS RN: 125103-53-9
CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-N-(phenylmethyl)acetamide
OPENEYE Name: N-benzyl-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide
IUPAC Name: N-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
SYSTEMATIC NAME: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-(phenylmethyl)ethanamide
MOLECULAR FORMULA: C20H21N3O
MOLECULAR WEIGHT: 319.40024
SMILES: CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NCC3=CC=CC=C3
Structure:
CAS RN: 125103-52-8
CAS Name: N-tert-butyl-2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)acetamide
OPENEYE Name: N-tert-butyl-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide
IUPAC Name: N-tert-butyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
SYSTEMATIC NAME: N-tert-butyl-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanamide
MOLECULAR FORMULA: C17H23N3O
MOLECULAR WEIGHT: 285.38402
SMILES: CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NC(C)(C)C
Structure:
CAS RN: 125103-51-7
CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-N-(3-methylbutyl)acetamide
OPENEYE Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-isopentyl-acetamide
IUPAC Name: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(3-methylbutyl)acetamide
SYSTEMATIC NAME: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-(3-methylbutyl)ethanamide
MOLECULAR FORMULA: C18H25N3O
MOLECULAR WEIGHT: 299.4106
SMILES: CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NCCC(C)C
Structure:
CAS RN: 125103-50-6
CAS Name: N-butyl-5-methyl-1,3-diphenyl-4-pyrazolecarboxamide
OPENEYE Name: N-butyl-5-methyl-1,3-diphenyl-pyrazole-4-carboxamide
IUPAC Name: N-butyl-5-methyl-1,3-diphenylpyrazole-4-carboxamide
SYSTEMATIC NAME: N-butyl-5-methyl-1,3-diphenyl-pyrazole-4-carboxamide
MOLECULAR FORMULA: C21H23N3O
MOLECULAR WEIGHT: 333.42682
SMILES: CCCCNC(=O)C1=C(N(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C
Structure:
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