CAS RN: 63732-03-6
CAS Name: 3-[4-(dimethylamino)phenyl]-4,6,6-trimethyl-1H-pyrimidine-2-thione
OPENEYE Name: 3-[4-(dimethylamino)phenyl]-4,6,6-trimethyl-1H-pyrimidine-2-thione
IUPAC Name: 3-[4-(dimethylamino)phenyl]-4,6,6-trimethyl-1H-pyrimidine-2-thione
SYSTEMATIC NAME: 3-[4-(dimethylamino)phenyl]-4,6,6-trimethyl-1H-pyrimidine-2-thione
MOLECULAR FORMULA: C15H21N3S
MOLECULAR WEIGHT: 275.41234
SMILES: CC1=CC(NC(=S)N1C2=CC=C(C=C2)N(C)C)(C)C
Structure:
CAS RN: 56236-74-9
CAS Name: 4-sulfamoylbenzenecarbothioamide
OPENEYE Name: 4-sulfamoylbenzenecarbothioamide
IUPAC Name: 4-sulfamoylbenzenecarbothioamide
SYSTEMATIC NAME: 4-sulfamoylbenzenecarbothioamide
MOLECULAR FORMULA: C7H8N2O2S2
MOLECULAR WEIGHT: 216.28062
SMILES: C1=CC(=CC=C1C(=S)N)S(=O)(=O)N
Structure:
CAS RN: 58830-87-8
CAS Name: 1-[2-(2-bromophenyl)heptyl]imidazole
OPENEYE Name: 1-[2-(2-bromophenyl)heptyl]imidazole
IUPAC Name: 1-[2-(2-bromophenyl)heptyl]imidazole
SYSTEMATIC NAME: 1-[2-(2-bromophenyl)heptyl]imidazole
MOLECULAR FORMULA: C16H21BrN2
MOLECULAR WEIGHT: 321.25534
SMILES: CCCCCC(CN1C=CN=C1)C2=CC=CC=C2Br
Structure:
CAS RN: 187164-19-8
CAS Name: (2E)-2-[(4R)-4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene]-2-(1-imidazolyl)acetonitrile
OPENEYE Name: (2E)-2-[(4R)-4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-yl-acetonitrile
IUPAC Name: (2E)-2-[(4R)-4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-ylacetonitrile
SYSTEMATIC NAME: (2E)-2-[(4R)-4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-yl-ethanenitrile
MOLECULAR FORMULA: C14H9Cl2N3S2
MOLECULAR WEIGHT: 354.27736
SMILES: C1[C@H](S/C(=C(\C#N)/N2C=CN=C2)/S1)C3=C(C=C(C=C3)Cl)Cl
Structure:
CAS RN: 247091-20-9
CAS Name: (2S)-2-[[[(1S,2Z)-2-[(2-amino-6-methoxy-9-purinyl)methylidene]cyclopropyl]methoxy-phenoxyphosphoryl]amino]propanoic acid methyl ester
OPENEYE Name: methyl (2S)-2-[[[(1S,2Z)-2-[(2-amino-6-methoxy-purin-9-yl)methylene]cyclopropyl]methoxy-phenoxy-phosphoryl]amino]propanoate
IUPAC Name: methyl (2S)-2-[[[(1S,2Z)-2-[(2-amino-6-methoxypurin-9-yl)methylidene]cyclopropyl]methoxy-phenoxyphosphoryl]amino]propanoate
SYSTEMATIC NAME: methyl (2S)-2-[[[(1S,2Z)-2-[(2-azanyl-6-methoxy-purin-9-yl)methylidene]cyclopropyl]methoxy-phenoxy-phosphoryl]amino]propanoate
MOLECULAR FORMULA: C21H25N6O6P
MOLECULAR WEIGHT: 488.433561
SMILES: C[C@@H](C(=O)OC)NP(=O)(OC[C@H]\1C/C1=C/N2C=NC3=C2N=C(N=C3OC)N)OC4=CC=CC=C4
Structure:
CAS RN: 149401-16-1
CAS Name: 2-chloro-11-[2-(4-morpholinyl)ethoxyamino]-6-benzo[c][1]benzazepinethione
OPENEYE Name: 2-chloro-11-(2-morpholinoethoxyamino)benzo[c][1]benzazepine-6-thione
IUPAC Name: 2-chloro-11-(2-morpholin-4-ylethoxyamino)benzo[c][1]benzazepine-6-thione
SYSTEMATIC NAME: 2-chloranyl-11-(2-morpholin-4-ylethoxyamino)benzo[c][1]benzazepine-6-thione
MOLECULAR FORMULA: C20H20ClN3O2S
MOLECULAR WEIGHT: 401.9097
SMILES: C1COCCN1CCONC2=C3C=C(C=CC3=NC(=S)C4=CC=CC=C42)Cl
Structure:
CAS RN: 376348-65-1
CAS Name: 4,4-difluoro-N-[(1S)-3-[(1R,5S)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-1-cyclohexanecarboxamide
OPENEYE Name: 4,4-difluoro-N-[(1S)-3-[(1R,5S)-3-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenyl-propyl]cyclohexanecarboxamide
IUPAC Name: 4,4-difluoro-N-[(1S)-3-[(1R,5S)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide
SYSTEMATIC NAME: 4,4-bis(fluoranyl)-N-[(1S)-3-[(1R,5S)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenyl-propyl]cyclohexane-1-carboxamide
MOLECULAR FORMULA: C29H41F2N5O
MOLECULAR WEIGHT: 513.665546
SMILES: CC1=NN=C(N1C2C[C@H]3CC[C@@H](C2)N3CC[C@@H](C4=CC=CC=C4)NC(=O)C5CCC(CC5)(F)F)C(C)C
Structure:
CAS RN: 674782-29-7
CAS Name: 4,4-difluoro-N-[(1S)-3-[(1R,5S)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-1-cyclohexanecarboxamide
OPENEYE Name: 4,4-difluoro-N-[(1S)-3-[(1R,5S)-3-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenyl-propyl]cyclohexanecarboxamide
IUPAC Name: 4,4-difluoro-N-[(1S)-3-[(1R,5S)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide
SYSTEMATIC NAME: 4,4-bis(fluoranyl)-N-[(1S)-3-[(1R,5S)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenyl-propyl]cyclohexane-1-carboxamide
MOLECULAR FORMULA: C29H41F2N5O
MOLECULAR WEIGHT: 513.665546
SMILES: CC1=NN=C(N1C2C[C@H]3CC[C@@H](C2)N3CC[C@@H](C4=CC=CC=C4)NC(=O)C5CCC(CC5)(F)F)C(C)C
Structure:
CAS RN: 502173-16-2
CAS Name: N-[1-[(3S)-4-[benzenesulfonyl(methyl)amino]-3-methyl-3-phenylbutyl]-4-piperidinyl]-N-prop-2-enylcarbamic acid (4-nitrophenyl)methyl ester
OPENEYE Name: (4-nitrophenyl)methyl N-allyl-N-[1-[(3S)-4-[benzenesulfonyl(methyl)amino]-3-methyl-3-phenyl-butyl]-4-piperidyl]carbamate
IUPAC Name: (4-nitrophenyl)methyl N-[1-[(3S)-4-[benzenesulfonyl(methyl)amino]-3-methyl-3-phenylbutyl]piperidin-4-yl]-N-prop-2-enylcarbamate
SYSTEMATIC NAME: (4-nitrophenyl)methyl N-[1-[(3S)-3-methyl-4-[methyl(phenylsulfonyl)amino]-3-phenyl-butyl]piperidin-4-yl]-N-prop-2-enyl-carbamate
MOLECULAR FORMULA: C34H42N4O6S
MOLECULAR WEIGHT: 634.78548
SMILES: C[C@@](CCN1CCC(CC1)N(CC=C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])(CN(C)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 466-73-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H19NO5
MOLECULAR WEIGHT: 317.33646
SMILES: CO[C@H]1C[C@H]2[C@@]3(C=C1)[C@H](CN2[C@H](C4=CC5=C(C=C34)OCO5)O)O
Structure:
CAS RN: 101530-10-3
CAS Name: (2E)-2-[4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene]-2-(1-imidazolyl)acetonitrile
OPENEYE Name: (2E)-2-[4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-yl-acetonitrile
IUPAC Name: (2E)-2-[4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-ylacetonitrile
SYSTEMATIC NAME: (2E)-2-[4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-yl-ethanenitrile
MOLECULAR FORMULA: C14H10ClN3S2
MOLECULAR WEIGHT: 319.8323
SMILES: C1C(S/C(=C(\C#N)/N2C=CN=C2)/S1)C3=CC=CC=C3Cl
Structure:
CAS RN: 126509-69-1
CAS Name: (2E)-2-[4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene]-2-(1-imidazolyl)acetonitrile
OPENEYE Name: (2E)-2-[4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-yl-acetonitrile
IUPAC Name: (2E)-2-[4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-ylacetonitrile
SYSTEMATIC NAME: (2E)-2-[4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-yl-ethanenitrile
MOLECULAR FORMULA: C14H10ClN3S2
MOLECULAR WEIGHT: 319.8323
SMILES: C1C(S/C(=C(\C#N)/N2C=CN=C2)/S1)C3=CC=CC=C3Cl
Structure:
CAS RN: 153222-93-6
CAS Name: (2E)-2-[4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene]-2-(1-imidazolyl)acetonitrile
OPENEYE Name: (2E)-2-[4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-yl-acetonitrile
IUPAC Name: (2E)-2-[4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-ylacetonitrile
SYSTEMATIC NAME: (2E)-2-[4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-yl-ethanenitrile
MOLECULAR FORMULA: C14H10ClN3S2
MOLECULAR WEIGHT: 319.8323
SMILES: C1C(S/C(=C(\C#N)/N2C=CN=C2)/S1)C3=CC=CC=C3Cl
Structure:
CAS RN: 41115-34-8
CAS Name: N-[2-[[[[dibutyl(chloro)stannyl]thio]-sulfanylidenemethyl]amino]ethyl]carbamodithioic acid [dibutyl(chloro)stannyl] ester
OPENEYE Name: [dibutyl(chloro)stannyl] N-[2-[[dibutyl(chloro)stannyl]sulfanylcarbothioylamino]ethyl]carbamodithioate
IUPAC Name: [dibutyl(chloro)stannyl] N-[2-[[dibutyl(chloro)stannyl]sulfanylcarbothioylamino]ethyl]carbamodithioate
SYSTEMATIC NAME: [dibutyl(chloranyl)stannyl] N-[2-[[dibutyl(chloranyl)stannyl]sulfanylcarbothioylamino]ethyl]carbamodithioate
MOLECULAR FORMULA: C20H42Cl2N2S4Sn2
MOLECULAR WEIGHT: 747.14688
SMILES: CCCC[Sn](CCCC)(SC(=S)NCCNC(=S)S[Sn](CCCC)(CCCC)Cl)Cl
Structure:
CAS RN: 5439-70-3
CAS Name: N-cyclohexylcarbamodithioic acid [[(cyclohexylamino)-sulfanylidenemethyl]disulfanyl] ester
OPENEYE Name: (cyclohexylcarbamothioyldisulfanyl) N-cyclohexylcarbamodithioate
IUPAC Name: (cyclohexylcarbamothioyldisulfanyl) N-cyclohexylcarbamodithioate
SYSTEMATIC NAME: (cyclohexylcarbamothioyldisulfanyl) N-cyclohexylcarbamodithioate
MOLECULAR FORMULA: C14H24N2S5
MOLECULAR WEIGHT: 380.67876
SMILES: C1CCC(CC1)NC(=S)SSSC(=S)NC2CCCCC2
Structure:
CAS RN: 5439-67-8
CAS Name: N-butylcarbamodithioic acid [[butylamino(sulfanylidene)methyl]trisulfanyl] ester
OPENEYE Name: (butylcarbamothioyltrisulfanyl) N-butylcarbamodithioate
IUPAC Name: (butylcarbamothioyltrisulfanyl) N-butylcarbamodithioate
SYSTEMATIC NAME: (butylcarbamothioyltrisulfanyl) N-butylcarbamodithioate
MOLECULAR FORMULA: C10H20N2S6
MOLECULAR WEIGHT: 360.6692
SMILES: CCCCNC(=S)SSSSC(=S)NCCCC
Structure:
CAS RN: 13208-82-7
CAS Name: 3-[[[2-[[(2-carboxyethylthio)-sulfanylidenemethyl]amino]ethylamino]-sulfanylidenemethyl]thio]propanoic acid
OPENEYE Name: 3-[2-(2-carboxyethylsulfanylcarbothioylamino)ethylcarbamothioylsulfanyl]propanoic acid
IUPAC Name: 3-[2-(2-carboxyethylsulfanylcarbothioylamino)ethylcarbamothioylsulfanyl]propanoic acid
SYSTEMATIC NAME: 3-[2-(3-hydroxy-3-oxopropylsulfanylcarbothioylamino)ethylcarbamothioylsulfanyl]propanoic acid
MOLECULAR FORMULA: C10H16N2O4S4
MOLECULAR WEIGHT: 356.50504
SMILES: C(CSC(=S)NCCNC(=S)SCCC(=O)O)C(=O)O
Structure:
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