CAS RN: 4805-22-5
CAS Name: 2-bromo-5-(5-bromo-2-thiophenyl)thiophene
OPENEYE Name: 2-bromo-5-(5-bromo-2-thienyl)thiophene
IUPAC Name: 2-bromo-5-(5-bromothiophen-2-yl)thiophene
SYSTEMATIC NAME: 2-bromanyl-5-(5-bromanylthiophen-2-yl)thiophene
MOLECULAR FORMULA: C8H4Br2S2
MOLECULAR WEIGHT: 324.05536
SMILES: C1=C(SC(=C1)Br)C2=CC=C(S2)Br
Structure:
CAS RN: 3376-24-7
CAS Name: N-tert-butyl-1-phenylmethanimine oxide
OPENEYE Name: N-tert-butyl-1-phenyl-methanimine oxide
IUPAC Name: N-tert-butyl-1-phenylmethanimine oxide
SYSTEMATIC NAME: N-tert-butyl-1-phenyl-methanimine oxide
MOLECULAR FORMULA: C11H15NO
MOLECULAR WEIGHT: 177.2429
SMILES: CC(C)(C)/[N+](=C/C1=CC=CC=C1)/[O-]
Structure:
CAS RN: 4815-34-3
CAS Name: 2-amino-5-phenyl-3-thiophenecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-amino-5-phenyl-thiophene-3-carboxylate
IUPAC Name: ethyl 2-amino-5-phenylthiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-azanyl-5-phenyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C13H13NO2S
MOLECULAR WEIGHT: 247.31282
SMILES: CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)N
Structure:
CAS RN: 118946-49-9
CAS Name: 2,5-diphenyl-1H-1,2,4-triazol-3-one
OPENEYE Name: 2,5-diphenyl-1H-1,2,4-triazol-3-one
IUPAC Name: 2,5-diphenyl-1H-1,2,4-triazol-3-one
SYSTEMATIC NAME: 2,5-diphenyl-1H-1,2,4-triazol-3-one
MOLECULAR FORMULA: C14H11N3O
MOLECULAR WEIGHT: 237.25664
SMILES: C1=CC=C(C=C1)C2=NC(=O)N(N2)C3=CC=CC=C3
Structure:
CAS RN: 2211-84-9
CAS Name: 7-methyl-3H-isobenzofuran-1-one
OPENEYE Name: 7-methyl-3H-isobenzofuran-1-one
IUPAC Name: 7-methyl-3H-2-benzofuran-1-one
SYSTEMATIC NAME: 7-methyl-3H-2-benzofuran-1-one
MOLECULAR FORMULA: C9H8O2
MOLECULAR WEIGHT: 148.15862
SMILES: CC1=CC=CC2=C1C(=O)OC2
Structure:
CAS RN: 2211-83-8
CAS Name: 4-methyl-3H-isobenzofuran-1-one
OPENEYE Name: 4-methyl-3H-isobenzofuran-1-one
IUPAC Name: 4-methyl-3H-2-benzofuran-1-one
SYSTEMATIC NAME: 4-methyl-3H-2-benzofuran-1-one
MOLECULAR FORMULA: C9H8O2
MOLECULAR WEIGHT: 148.15862
SMILES: CC1=CC=CC2=C1COC2=O
Structure:
CAS RN: 170899-08-8
CAS Name: (2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-pentenoate
OPENEYE Name: (2R)-2-(tert-butoxycarbonylamino)pent-4-enoate
IUPAC Name: (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
SYSTEMATIC NAME: (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
MOLECULAR FORMULA: C10H16NO4-
MOLECULAR WEIGHT: 214.23834
SMILES: CC(C)(C)OC(=O)N[C@H](CC=C)C(=O)[O-]
Structure:
CAS RN: 79156-75-5
CAS Name: 1-[4-[4-[[(2S,4S)-2-(2,4-dichlorophenyl)-2-(1-imidazolylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]ethanone
OPENEYE Name: 1-[4-[4-[[(2S,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
IUPAC Name: 1-[4-[4-[[(2S,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
SYSTEMATIC NAME: 1-[4-[4-[[(2S,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
MOLECULAR FORMULA: C26H28Cl2N4O4
MOLECULAR WEIGHT: 531.43092
SMILES: CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC[C@H]3CO[C@@](O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl
Structure:
CAS RN: 24305-27-9
CAS Name: (2S)-N-[(2S)-1-[(2S)-2-carbamoyl-1-pyrrolidinyl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxo-2-pyrrolidinecarboxamide
OPENEYE Name: (2S)-N-[(1S)-2-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxamide
IUPAC Name: (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2S)-N-[(2S)-1-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]-5-oxidanylidene-pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C16H22N6O4
MOLECULAR WEIGHT: 362.38368
SMILES: C1C[C@H](N(C1)C(=O)[C@H](CC2=CN=CN2)NC(=O)[C@@H]3CCC(=O)N3)C(=O)N
Structure:
CAS RN: 117217-40-0
CAS Name: (2S)-N-[(2S)-1-[(2S)-2-carbamoyl-1-pyrrolidinyl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxo-2-pyrrolidinecarboxamide
OPENEYE Name: (2S)-N-[(1S)-2-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxamide
IUPAC Name: (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2S)-N-[(2S)-1-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]-5-oxidanylidene-pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C16H22N6O4
MOLECULAR WEIGHT: 362.38368
SMILES: C1C[C@H](N(C1)C(=O)[C@H](CC2=CN=CN2)NC(=O)[C@@H]3CCC(=O)N3)C(=O)N
Structure:
CAS RN: 29421-92-9
CAS Name: 4-bromo-2-methylthiophene
OPENEYE Name: 4-bromo-2-methyl-thiophene
IUPAC Name: 4-bromo-2-methylthiophene
SYSTEMATIC NAME: 4-bromanyl-2-methyl-thiophene
MOLECULAR FORMULA: C5H5BrS
MOLECULAR WEIGHT: 177.0622
SMILES: CC1=CC(=CS1)Br
Structure:
CAS RN: 252280-83-4
CAS Name: 2-ethyl-1,3-benzothiazole
OPENEYE Name: 2-ethyl-1,3-benzothiazole
IUPAC Name: 2-ethyl-1,3-benzothiazole
SYSTEMATIC NAME: 2-ethyl-1,3-benzothiazole
MOLECULAR FORMULA: C9H9NS
MOLECULAR WEIGHT: 163.23946
SMILES: CCC1=NC2=CC=CC=C2S1
Structure:
CAS RN: 29548-30-9
CAS Name: acetic acid [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] ester
OPENEYE Name: [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] acetate
IUPAC Name: [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] acetate
SYSTEMATIC NAME: [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] ethanoate
MOLECULAR FORMULA: C17H28O2
MOLECULAR WEIGHT: 264.40302
SMILES: CC(=CCC/C(=C/CC/C(=C/COC(=O)C)/C)/C)C
Structure:
CAS RN: 4128-17-0
CAS Name: acetic acid [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] ester
OPENEYE Name: [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] acetate
IUPAC Name: [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] acetate
SYSTEMATIC NAME: [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] ethanoate
MOLECULAR FORMULA: C17H28O2
MOLECULAR WEIGHT: 264.40302
SMILES: CC(=CCC/C(=C/CC/C(=C/COC(=O)C)/C)/C)C
Structure:
CAS RN: 22568-51-0
CAS Name: 2-methoxy-4-[(E)-2-nitroethenyl]phenol
OPENEYE Name: 2-methoxy-4-[(E)-2-nitrovinyl]phenol
IUPAC Name: 2-methoxy-4-[(E)-2-nitroethenyl]phenol
SYSTEMATIC NAME: 2-methoxy-4-[(E)-2-nitroethenyl]phenol
MOLECULAR FORMULA: C9H9NO4
MOLECULAR WEIGHT: 195.17206
SMILES: COC1=C(C=CC(=C1)/C=C/[N+](=O)[O-])O
Structure:
CAS RN: 3179-08-6
CAS Name: 4-[(E)-2-nitroethenyl]phenol
OPENEYE Name: 4-[(E)-2-nitrovinyl]phenol
IUPAC Name: 4-[(E)-2-nitroethenyl]phenol
SYSTEMATIC NAME: 4-[(E)-2-nitroethenyl]phenol
MOLECULAR FORMULA: C8H7NO3
MOLECULAR WEIGHT: 165.14608
SMILES: C1=CC(=CC=C1/C=C/[N+](=O)[O-])O
Structure:
CAS RN: 487-27-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C8H13NO2
MOLECULAR WEIGHT: 155.19432
SMILES: CN1[C@H]2C[C@H]3C[C@@H]1[C@@H]([C@@H]2O)O3
Structure:
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