CAS RN: 6961-72-4
CAS Name: N-(1,3-benzothiazol-2-ylamino)carbamothioic acid S-ethyl ester
OPENEYE Name: S-ethyl N-(1,3-benzothiazol-2-ylamino)carbamothioate
IUPAC Name: S-ethyl N-(1,3-benzothiazol-2-ylamino)carbamothioate
SYSTEMATIC NAME: S-ethyl N-(1,3-benzothiazol-2-ylamino)carbamothioate
MOLECULAR FORMULA: C10H11N3OS2
MOLECULAR WEIGHT: 253.34384
SMILES: CCSC(=O)NNC1=NC2=CC=CC=C2S1
Structure:
CAS RN: 5038-43-7
CAS Name: N-[[oxo(pyridin-4-yl)methyl]amino]carbamothioic acid S-ethyl ester
OPENEYE Name: S-ethyl N-(pyridine-4-carbonylamino)carbamothioate
IUPAC Name: S-ethyl N-(pyridine-4-carbonylamino)carbamothioate
SYSTEMATIC NAME: S-ethyl N-(pyridin-4-ylcarbonylamino)carbamothioate
MOLECULAR FORMULA: C9H11N3O2S
MOLECULAR WEIGHT: 225.26754
SMILES: CCSC(=O)NNC(=O)C1=CC=NC=C1
Structure:
CAS RN: 4091-91-2
CAS Name: 3-chloro-1-(10-phenothiazinyl)-1-propanone
OPENEYE Name: 3-chloro-1-phenothiazin-10-yl-propan-1-one
IUPAC Name: 3-chloro-1-phenothiazin-10-ylpropan-1-one
SYSTEMATIC NAME: 3-chloranyl-1-phenothiazin-10-yl-propan-1-one
MOLECULAR FORMULA: C15H12ClNOS
MOLECULAR WEIGHT: 289.77988
SMILES: C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CCCl
Structure:
CAS RN: 7153-23-3
CAS Name: 6,7-dimethylquinoxaline
OPENEYE Name: 6,7-dimethylquinoxaline
IUPAC Name: 6,7-dimethylquinoxaline
SYSTEMATIC NAME: 6,7-dimethylquinoxaline
MOLECULAR FORMULA: C10H10N2
MOLECULAR WEIGHT: 158.1998
SMILES: CC1=CC2=NC=CN=C2C=C1C
Structure:
CAS RN: 107349-88-2
CAS Name: 1-(2,5-dichloro-4-sulfophenyl)-5-oxo-4H-pyrazole-3-carboxylic acid
OPENEYE Name: 1-(2,5-dichloro-4-sulfo-phenyl)-5-oxo-4H-pyrazole-3-carboxylic acid
IUPAC Name: 1-(2,5-dichloro-4-sulfophenyl)-5-oxo-4H-pyrazole-3-carboxylic acid
SYSTEMATIC NAME: 1-[2,5-bis(chloranyl)-4-sulfo-phenyl]-5-oxidanylidene-4H-pyrazole-3-carboxylic acid
MOLECULAR FORMULA: C10H6Cl2N2O6S
MOLECULAR WEIGHT: 353.13544
SMILES: C1C(=NN(C1=O)C2=CC(=C(C=C2Cl)S(=O)(=O)O)Cl)C(=O)O
Structure:
CAS RN: 89465-64-5
CAS Name: (3aS,7aS)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2,2-dioxide
OPENEYE Name: (3aS,7aS)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2,2-dioxide
IUPAC Name: (3aS,7aS)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2,2-dioxide
SYSTEMATIC NAME: (3aS,7aS)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2,2-dioxide
MOLECULAR FORMULA: C6H10O4S
MOLECULAR WEIGHT: 178.2062
SMILES: C1CC[C@H]2[C@H](C1)OS(=O)(=O)O2
Structure:
CAS RN: 6970-90-7
CAS Name: (3aR,7aS)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2,2-dioxide
OPENEYE Name: (3aR,7aS)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2,2-dioxide
IUPAC Name: (3aR,7aS)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2,2-dioxide
SYSTEMATIC NAME: (3aR,7aS)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2,2-dioxide
MOLECULAR FORMULA: C6H10O4S
MOLECULAR WEIGHT: 178.2062
SMILES: C1CC[C@H]2[C@@H](C1)OS(=O)(=O)O2
Structure:
CAS RN: 18321-15-8
CAS Name: dithiane 1,1-dioxide
OPENEYE Name: dithiane 1,1-dioxide
IUPAC Name: dithiane 1,1-dioxide
SYSTEMATIC NAME: 1,2-dithiane 1,1-dioxide
MOLECULAR FORMULA: C4H8O2S2
MOLECULAR WEIGHT: 152.23512
SMILES: C1CCS(=O)(=O)SC1
Structure:
CAS RN: 21308-97-4
CAS Name: dithiane 1,1-dioxide
OPENEYE Name: dithiane 1,1-dioxide
IUPAC Name: dithiane 1,1-dioxide
SYSTEMATIC NAME: 1,2-dithiane 1,1-dioxide
MOLECULAR FORMULA: C4H8O2S2
MOLECULAR WEIGHT: 152.23512
SMILES: C1CCS(=O)(=O)SC1
Structure:
CAS RN: 5059-36-9
CAS Name: 1-[2-(2,5-dimethyl-1-pyrrolyl)ethyl]piperazine
OPENEYE Name: 1-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazine
IUPAC Name: 1-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazine
SYSTEMATIC NAME: 1-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazine
MOLECULAR FORMULA: C12H21N3
MOLECULAR WEIGHT: 207.31524
SMILES: CC1=CC=C(N1CCN2CCNCC2)C
Structure:
CAS RN: 5452-60-8
CAS Name: 1-[2-(2,5-dimethyl-1-pyrrolyl)ethyl]piperazine
OPENEYE Name: 1-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazine
IUPAC Name: 1-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazine
SYSTEMATIC NAME: 1-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazine
MOLECULAR FORMULA: C12H21N3
MOLECULAR WEIGHT: 207.31524
SMILES: CC1=CC=C(N1CCN2CCNCC2)C
Structure:
CAS RN: 89456-57-5
CAS Name: 1-[6-(2,5-dimethyl-1-pyrrolyl)hexyl]-2,5-dimethylpyrrole
OPENEYE Name: 1-[6-(2,5-dimethylpyrrol-1-yl)hexyl]-2,5-dimethyl-pyrrole
IUPAC Name: 1-[6-(2,5-dimethylpyrrol-1-yl)hexyl]-2,5-dimethylpyrrole
SYSTEMATIC NAME: 1-[6-(2,5-dimethylpyrrol-1-yl)hexyl]-2,5-dimethyl-pyrrole
MOLECULAR FORMULA: C18H28N2
MOLECULAR WEIGHT: 272.42832
SMILES: CC1=CC=C(N1CCCCCCN2C(=CC=C2C)C)C
Structure:
CAS RN: 6972-79-8
CAS Name: 1,3-bis(phenylmethoxy)-2-propanol
OPENEYE Name: 1,3-dibenzyloxypropan-2-ol
IUPAC Name: 1,3-bis(phenylmethoxy)propan-2-ol
SYSTEMATIC NAME: 1,3-bis(phenylmethoxy)propan-2-ol
MOLECULAR FORMULA: C17H20O3
MOLECULAR WEIGHT: 272.3389
SMILES: C1=CC=C(C=C1)COCC(COCC2=CC=CC=C2)O
Structure:
CAS RN: 89691-91-8
CAS Name: 1,3-bis(phenylmethoxy)-2-propanol
OPENEYE Name: 1,3-dibenzyloxypropan-2-ol
IUPAC Name: 1,3-bis(phenylmethoxy)propan-2-ol
SYSTEMATIC NAME: 1,3-bis(phenylmethoxy)propan-2-ol
MOLECULAR FORMULA: C17H20O3
MOLECULAR WEIGHT: 272.3389
SMILES: C1=CC=C(C=C1)COCC(COCC2=CC=CC=C2)O
Structure:
CAS RN: 4703-38-2
CAS Name: 1-(4-methoxyphenyl)-2,3-dihydro-1H-indene
OPENEYE Name: 1-(4-methoxyphenyl)indane
IUPAC Name: 1-(4-methoxyphenyl)-2,3-dihydro-1H-indene
SYSTEMATIC NAME: 1-(4-methoxyphenyl)-2,3-dihydro-1H-indene
MOLECULAR FORMULA: C16H16O
MOLECULAR WEIGHT: 224.29764
SMILES: COC1=CC=C(C=C1)C2CCC3=CC=CC=C23
Structure:
CAS RN: 19598-07-3
CAS Name: acetic acid [(1R,2R)-1-acetyloxy-2,3-dihydro-1H-inden-2-yl] ester
OPENEYE Name: [(1R,2R)-1-acetoxyindan-2-yl] acetate
IUPAC Name: [(1R,2R)-1-acetyloxy-2,3-dihydro-1H-inden-2-yl] acetate
SYSTEMATIC NAME: [(1R,2R)-1-acetyloxy-2,3-dihydro-1H-inden-2-yl] ethanoate
MOLECULAR FORMULA: C13H14O4
MOLECULAR WEIGHT: 234.24786
SMILES: CC(=O)O[C@@H]1CC2=CC=CC=C2[C@H]1OC(=O)C
Structure:
CAS RN: 4647-43-2
CAS Name: (1R,2R)-2,3-dihydro-1H-indene-1,2-diol
OPENEYE Name: (1R,2R)-indane-1,2-diol
IUPAC Name: (1R,2R)-2,3-dihydro-1H-indene-1,2-diol
SYSTEMATIC NAME: (1R,2R)-2,3-dihydro-1H-indene-1,2-diol
MOLECULAR FORMULA: C9H10O2
MOLECULAR WEIGHT: 150.1745
SMILES: C1[C@H]([C@@H](C2=CC=CC=C21)O)O
Structure:
CAS RN: 23328-10-1
CAS Name: 1-prop-2-enyl-1H-indene
OPENEYE Name: 1-allyl-1H-indene
IUPAC Name: 1-prop-2-enyl-1H-indene
SYSTEMATIC NAME: 1-prop-2-enyl-1H-indene
MOLECULAR FORMULA: C12H12
MOLECULAR WEIGHT: 156.22368
SMILES: C=CCC1C=CC2=CC=CC=C12
Structure:
CAS RN: 92714-12-0
CAS Name: (2-chlorophenyl)-(2,4,6-trimethylphenyl)methanone
OPENEYE Name: (2-chlorophenyl)-(2,4,6-trimethylphenyl)methanone
IUPAC Name: (2-chlorophenyl)-(2,4,6-trimethylphenyl)methanone
SYSTEMATIC NAME: (2-chlorophenyl)-(2,4,6-trimethylphenyl)methanone
MOLECULAR FORMULA: C16H15ClO
MOLECULAR WEIGHT: 258.7427
SMILES: CC1=CC(=C(C(=C1)C)C(=O)C2=CC=CC=C2Cl)C
Structure:
CAS RN: 63810-54-8
CAS Name: (3-chlorophenyl)-(2,4-dimethylphenyl)methanone
OPENEYE Name: (3-chlorophenyl)-(2,4-dimethylphenyl)methanone
IUPAC Name: (3-chlorophenyl)-(2,4-dimethylphenyl)methanone
SYSTEMATIC NAME: (3-chlorophenyl)-(2,4-dimethylphenyl)methanone
MOLECULAR FORMULA: C15H13ClO
MOLECULAR WEIGHT: 244.71612
SMILES: CC1=CC(=C(C=C1)C(=O)C2=CC(=CC=C2)Cl)C
Structure:
CAS RN: 67151-67-1
CAS Name: (3-chlorophenyl)-(2,4,6-trimethylphenyl)methanone
OPENEYE Name: (3-chlorophenyl)-(2,4,6-trimethylphenyl)methanone
IUPAC Name: (3-chlorophenyl)-(2,4,6-trimethylphenyl)methanone
SYSTEMATIC NAME: (3-chlorophenyl)-(2,4,6-trimethylphenyl)methanone
MOLECULAR FORMULA: C16H15ClO
MOLECULAR WEIGHT: 258.7427
SMILES: CC1=CC(=C(C(=C1)C)C(=O)C2=CC(=CC=C2)Cl)C
Structure:
CAS RN: 5127-28-6
CAS Name: (4-nitrophenyl)-diphenylmethanol
OPENEYE Name: (4-nitrophenyl)-diphenyl-methanol
IUPAC Name: (4-nitrophenyl)-diphenylmethanol
SYSTEMATIC NAME: (4-nitrophenyl)-diphenyl-methanol
MOLECULAR FORMULA: C19H15NO3
MOLECULAR WEIGHT: 305.3273
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)[N+](=O)[O-])O
Structure:
CAS RN: 66789-15-9
CAS Name: (4-aminophenyl)-(4-methylphenyl)methanone
OPENEYE Name: (4-aminophenyl)-(p-tolyl)methanone
IUPAC Name: (4-aminophenyl)-(4-methylphenyl)methanone
SYSTEMATIC NAME: (4-aminophenyl)-(4-methylphenyl)methanone
MOLECULAR FORMULA: C14H13NO
MOLECULAR WEIGHT: 211.25912
SMILES: CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N
Structure:
CAS RN: 14694-31-6
CAS Name: acetic acid [(1R,3S,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] ester
OPENEYE Name: [(1S,2S,4R)-1,7,7-trimethylnorbornan-2-yl] acetate
IUPAC Name: [(1R,3S,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] acetate
SYSTEMATIC NAME: [(1R,3S,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] ethanoate
MOLECULAR FORMULA: C12H20O2
MOLECULAR WEIGHT: 196.286
SMILES: CC(=O)O[C@H]1C[C@H]2CC[C@]1(C2(C)C)C
Structure:
CAS RN: 125-12-2
CAS Name: acetic acid [(1R,3S,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] ester
OPENEYE Name: [(1S,2S,4R)-1,7,7-trimethylnorbornan-2-yl] acetate
IUPAC Name: [(1R,3S,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] acetate
SYSTEMATIC NAME: [(1R,3S,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] ethanoate
MOLECULAR FORMULA: C12H20O2
MOLECULAR WEIGHT: 196.286
SMILES: CC(=O)O[C@H]1C[C@H]2CC[C@]1(C2(C)C)C
Structure:
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