CAS RN: 10413-00-0
CAS Name: 5-oxo-5-phenylpentanenitrile
OPENEYE Name: 5-oxo-5-phenyl-pentanenitrile
IUPAC Name: 5-oxo-5-phenylpentanenitrile
SYSTEMATIC NAME: 5-oxidanylidene-5-phenyl-pentanenitrile
MOLECULAR FORMULA: C11H11NO
MOLECULAR WEIGHT: 173.21114
SMILES: C1=CC=C(C=C1)C(=O)CCCC#N
Structure:
CAS RN: 27573-35-9
CAS Name: 2-chloro-3-(trichloromethyl)pyrazine
OPENEYE Name: 2-chloro-3-(trichloromethyl)pyrazine
IUPAC Name: 2-chloro-3-(trichloromethyl)pyrazine
SYSTEMATIC NAME: 2-chloranyl-3-(trichloromethyl)pyrazine
MOLECULAR FORMULA: C5H2Cl4N2
MOLECULAR WEIGHT: 231.89478
SMILES: C1=CN=C(C(=N1)C(Cl)(Cl)Cl)Cl
Structure:
CAS RN: 55749-49-0
CAS Name: 2,4-bis(butylthio)-6-methylpyrimidine
OPENEYE Name: 2,4-bis(butylsulfanyl)-6-methyl-pyrimidine
IUPAC Name: 2,4-bis(butylsulfanyl)-6-methylpyrimidine
SYSTEMATIC NAME: 2,4-bis(butylsulfanyl)-6-methyl-pyrimidine
MOLECULAR FORMULA: C13H22N2S2
MOLECULAR WEIGHT: 270.45718
SMILES: CCCCSC1=NC(=NC(=C1)C)SCCCC
Structure:
CAS RN: 17901-17-6
CAS Name: 5-chloro-4-methyl-2,6-bis(methylsulfonyl)pyrimidine
OPENEYE Name: 5-chloro-4-methyl-2,6-bis(methylsulfonyl)pyrimidine
IUPAC Name: 5-chloro-4-methyl-2,6-bis(methylsulfonyl)pyrimidine
SYSTEMATIC NAME: 5-chloranyl-4-methyl-2,6-bis(methylsulfonyl)pyrimidine
MOLECULAR FORMULA: C7H9ClN2O4S2
MOLECULAR WEIGHT: 284.74036
SMILES: CC1=C(C(=NC(=N1)S(=O)(=O)C)S(=O)(=O)C)Cl
Structure:
CAS RN: 14394-60-6
CAS Name: 2-chloro-6-methyl-4-pyrimidinamine
OPENEYE Name: 2-chloro-6-methyl-pyrimidin-4-amine
IUPAC Name: 2-chloro-6-methylpyrimidin-4-amine
SYSTEMATIC NAME: 2-chloranyl-6-methyl-pyrimidin-4-amine
MOLECULAR FORMULA: C5H6ClN3
MOLECULAR WEIGHT: 143.57424
SMILES: CC1=CC(=NC(=N1)Cl)N
Structure:
CAS RN: 79325-33-0
CAS Name: 3,4-dichloro-2-(trichloromethyl)quinoline
OPENEYE Name: 3,4-dichloro-2-(trichloromethyl)quinoline
IUPAC Name: 3,4-dichloro-2-(trichloromethyl)quinoline
SYSTEMATIC NAME: 3,4-bis(chloranyl)-2-(trichloromethyl)quinoline
MOLECULAR FORMULA: C10H4Cl5N
MOLECULAR WEIGHT: 315.41046
SMILES: C1=CC=C2C(=C1)C(=C(C(=N2)C(Cl)(Cl)Cl)Cl)Cl
Structure:
CAS RN: 6789-63-5
CAS Name: 2-chloro-6-(trichloromethyl)-4-pyrimidinamine
OPENEYE Name: 2-chloro-6-(trichloromethyl)pyrimidin-4-amine
IUPAC Name: 2-chloro-6-(trichloromethyl)pyrimidin-4-amine
SYSTEMATIC NAME: 2-chloranyl-6-(trichloromethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C5H3Cl4N3
MOLECULAR WEIGHT: 246.90942
SMILES: C1=C(N=C(N=C1N)Cl)C(Cl)(Cl)Cl
Structure:
CAS RN: 18093-43-1
CAS Name: 2,3-bis(2-naphthalenylthio)naphthalene-1,4-dione
OPENEYE Name: 2,3-bis(2-naphthylsulfanyl)naphthalene-1,4-dione
IUPAC Name: 2,3-bis(naphthalen-2-ylsulfanyl)naphthalene-1,4-dione
SYSTEMATIC NAME: 2,3-bis(naphthalen-2-ylsulfanyl)naphthalene-1,4-dione
MOLECULAR FORMULA: C30H18O2S2
MOLECULAR WEIGHT: 474.59272
SMILES: C1=CC=C2C=C(C=CC2=C1)SC3=C(C(=O)C4=CC=CC=C4C3=O)SC5=CC6=CC=CC=C6C=C5
Structure:
CAS RN: 88856-15-9
CAS Name: 2,3-bis[(4-methylphenyl)thio]naphthalene-1,4-dione
OPENEYE Name: 2,3-bis(p-tolylsulfanyl)naphthalene-1,4-dione
IUPAC Name: 2,3-bis[(4-methylphenyl)sulfanyl]naphthalene-1,4-dione
SYSTEMATIC NAME: 2,3-bis[(4-methylphenyl)sulfanyl]naphthalene-1,4-dione
MOLECULAR FORMULA: C24H18O2S2
MOLECULAR WEIGHT: 402.52852
SMILES: CC1=CC=C(C=C1)SC2=C(C(=O)C3=CC=CC=C3C2=O)SC4=CC=C(C=C4)C
Structure:
CAS RN: 83027-27-4
CAS Name: 2-chloro-3-[2-(dimethylamino)ethylamino]naphthalene-1,4-dione
OPENEYE Name: 2-chloro-3-[2-(dimethylamino)ethylamino]naphthalene-1,4-dione
IUPAC Name: 2-chloro-3-[2-(dimethylamino)ethylamino]naphthalene-1,4-dione
SYSTEMATIC NAME: 2-chloranyl-3-[2-(dimethylamino)ethylamino]naphthalene-1,4-dione
MOLECULAR FORMULA: C14H15ClN2O2
MOLECULAR WEIGHT: 278.7341
SMILES: CN(C)CCNC1=C(C(=O)C2=CC=CC=C2C1=O)Cl
Structure:
CAS RN: 57097-67-3
CAS Name: 2-chloro-3-(cyclopentylamino)naphthalene-1,4-dione
OPENEYE Name: 2-chloro-3-(cyclopentylamino)naphthalene-1,4-dione
IUPAC Name: 2-chloro-3-(cyclopentylamino)naphthalene-1,4-dione
SYSTEMATIC NAME: 2-chloranyl-3-(cyclopentylamino)naphthalene-1,4-dione
MOLECULAR FORMULA: C15H14ClNO2
MOLECULAR WEIGHT: 275.73016
SMILES: C1CCC(C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl
Structure:
CAS RN: 14422-77-6
CAS Name: 2-chloro-3-(diethylamino)naphthalene-1,4-dione
OPENEYE Name: 2-chloro-3-(diethylamino)naphthalene-1,4-dione
IUPAC Name: 2-chloro-3-(diethylamino)naphthalene-1,4-dione
SYSTEMATIC NAME: 2-chloranyl-3-(diethylamino)naphthalene-1,4-dione
MOLECULAR FORMULA: C14H14ClNO2
MOLECULAR WEIGHT: 263.71946
SMILES: CCN(CC)C1=C(C(=O)C2=CC=CC=C2C1=O)Cl
Structure:
CAS RN: 69895-75-6
CAS Name: 2-chloro-3-[2-(diethylamino)ethylamino]naphthalene-1,4-dione
OPENEYE Name: 2-chloro-3-[2-(diethylamino)ethylamino]naphthalene-1,4-dione
IUPAC Name: 2-chloro-3-[2-(diethylamino)ethylamino]naphthalene-1,4-dione
SYSTEMATIC NAME: 2-chloranyl-3-[2-(diethylamino)ethylamino]naphthalene-1,4-dione
MOLECULAR FORMULA: C16H19ClN2O2
MOLECULAR WEIGHT: 306.78726
SMILES: CCN(CC)CCNC1=C(C(=O)C2=CC=CC=C2C1=O)Cl
Structure:
CAS RN: 2736-84-7
CAS Name: sulfurous acid decyl prop-2-ynyl ester
OPENEYE Name: decyl prop-2-ynyl sulfite
IUPAC Name: decyl prop-2-ynyl sulfite
SYSTEMATIC NAME: decyl prop-2-ynyl sulfite
MOLECULAR FORMULA: C13H24O3S
MOLECULAR WEIGHT: 260.39286
SMILES: CCCCCCCCCCOS(=O)OCC#C
Structure:
CAS RN: 92248-17-4
CAS Name: 2-(butan-2-ylamino)naphthalene-1,4-dione
OPENEYE Name: 2-(sec-butylamino)naphthalene-1,4-dione
IUPAC Name: 2-(butan-2-ylamino)naphthalene-1,4-dione
SYSTEMATIC NAME: 2-(butan-2-ylamino)naphthalene-1,4-dione
MOLECULAR FORMULA: C14H15NO2
MOLECULAR WEIGHT: 229.2744
SMILES: CCC(C)NC1=CC(=O)C2=CC=CC=C2C1=O
Structure:
CAS RN: 14422-99-2
CAS Name: 2-(ethylamino)naphthalene-1,4-dione
OPENEYE Name: 2-(ethylamino)naphthalene-1,4-dione
IUPAC Name: 2-(ethylamino)naphthalene-1,4-dione
SYSTEMATIC NAME: 2-(ethylamino)naphthalene-1,4-dione
MOLECULAR FORMULA: C12H11NO2
MOLECULAR WEIGHT: 201.22124
SMILES: CCNC1=CC(=O)C2=CC=CC=C2C1=O
Structure:
CAS RN: 25600-80-0
CAS Name: 2-chloro-3-hexoxysulfinyloxybutanoic acid ethyl ester
OPENEYE Name: ethyl 2-chloro-3-hexoxysulfinyloxy-butanoate
IUPAC Name: ethyl 2-chloro-3-hexoxysulfinyloxybutanoate
SYSTEMATIC NAME: ethyl 2-chloranyl-3-hexoxysulfinyloxy-butanoate
MOLECULAR FORMULA: C12H23ClO5S
MOLECULAR WEIGHT: 314.82602
SMILES: CCCCCCOS(=O)OC(C)C(C(=O)OCC)Cl
Structure:
CAS RN: 25963-62-6
CAS Name: sulfurous acid prop-2-ynyl tetradecyl ester
OPENEYE Name: prop-2-ynyl tetradecyl sulfite
IUPAC Name: prop-2-ynyl tetradecyl sulfite
SYSTEMATIC NAME: prop-2-ynyl tetradecyl sulfite
MOLECULAR FORMULA: C17H32O3S
MOLECULAR WEIGHT: 316.49918
SMILES: CCCCCCCCCCCCCCOS(=O)OCC#C
Structure:
CAS RN: 37801-32-4
CAS Name: N-tert-butylcarbamic acid [3-[[(methylthio)-oxomethyl]amino]phenyl] ester
OPENEYE Name: [3-(methylsulfanylcarbonylamino)phenyl] N-tert-butylcarbamate
IUPAC Name: [3-(methylsulfanylcarbonylamino)phenyl] N-tert-butylcarbamate
SYSTEMATIC NAME: [3-(methylsulfanylcarbonylamino)phenyl] N-tert-butylcarbamate
MOLECULAR FORMULA: C13H18N2O3S
MOLECULAR WEIGHT: 282.35862
SMILES: CC(C)(C)NC(=O)OC1=CC=CC(=C1)NC(=O)SC
Structure:
CAS RN: 3201-73-8
CAS Name: 3-diethoxyphosphoryl-1-propyne
OPENEYE Name: 3-diethoxyphosphorylprop-1-yne
IUPAC Name: 3-diethoxyphosphorylprop-1-yne
SYSTEMATIC NAME: 3-diethoxyphosphorylprop-1-yne
MOLECULAR FORMULA: C7H13O3P
MOLECULAR WEIGHT: 176.150081
SMILES: CCOP(=O)(CC#C)OCC
Structure:
CAS RN: 1142-00-3
CAS Name: N,N-dimethylsulfamic acid (3-nitrophenyl) ester
OPENEYE Name: (3-nitrophenyl) N,N-dimethylsulfamate
IUPAC Name: (3-nitrophenyl) N,N-dimethylsulfamate
SYSTEMATIC NAME: (3-nitrophenyl) N,N-dimethylsulfamate
MOLECULAR FORMULA: C8H10N2O5S
MOLECULAR WEIGHT: 246.2404
SMILES: CN(C)S(=O)(=O)OC1=CC=CC(=C1)[N+](=O)[O-]
Structure:
CAS RN: 1141-13-5
CAS Name: N,N-dimethylsulfamic acid (2-nitrophenyl) ester
OPENEYE Name: (2-nitrophenyl) N,N-dimethylsulfamate
IUPAC Name: (2-nitrophenyl) N,N-dimethylsulfamate
SYSTEMATIC NAME: (2-nitrophenyl) N,N-dimethylsulfamate
MOLECULAR FORMULA: C8H10N2O5S
MOLECULAR WEIGHT: 246.2404
SMILES: CN(C)S(=O)(=O)OC1=CC=CC=C1[N+](=O)[O-]
Structure:
CAS RN: 19961-95-6
CAS Name: N,N-diethylcarbamic acid [3-[[butan-2-yloxy(oxo)methyl]amino]phenyl] ester
OPENEYE Name: [3-(sec-butoxycarbonylamino)phenyl] N,N-diethylcarbamate
IUPAC Name: [3-(butan-2-yloxycarbonylamino)phenyl] N,N-diethylcarbamate
SYSTEMATIC NAME: [3-(butan-2-yloxycarbonylamino)phenyl] N,N-diethylcarbamate
MOLECULAR FORMULA: C16H24N2O4
MOLECULAR WEIGHT: 308.37276
SMILES: CCC(C)OC(=O)NC1=CC(=CC=C1)OC(=O)N(CC)CC
Structure:
CAS RN: 19961-68-3
CAS Name: N,N-dimethylcarbamic acid [3-[[butan-2-yloxy(oxo)methyl]amino]phenyl] ester
OPENEYE Name: [3-(sec-butoxycarbonylamino)phenyl] N,N-dimethylcarbamate
IUPAC Name: [3-(butan-2-yloxycarbonylamino)phenyl] N,N-dimethylcarbamate
SYSTEMATIC NAME: [3-(butan-2-yloxycarbonylamino)phenyl] N,N-dimethylcarbamate
MOLECULAR FORMULA: C14H20N2O4
MOLECULAR WEIGHT: 280.3196
SMILES: CCC(C)OC(=O)NC1=CC(=CC=C1)OC(=O)N(C)C
Structure:
CAS RN: 19961-67-2
CAS Name: N-(2-methylprop-2-enyl)carbamic acid [3-(methoxycarbonylamino)phenyl] ester
OPENEYE Name: [3-(methoxycarbonylamino)phenyl] N-(2-methylallyl)carbamate
IUPAC Name: [3-(methoxycarbonylamino)phenyl] N-(2-methylprop-2-enyl)carbamate
SYSTEMATIC NAME: [3-(methoxycarbonylamino)phenyl] N-(2-methylprop-2-enyl)carbamate
MOLECULAR FORMULA: C13H16N2O4
MOLECULAR WEIGHT: 264.27714
SMILES: CC(=C)CNC(=O)OC1=CC=CC(=C1)NC(=O)OC
Structure:
CAS RN: 19961-94-5
CAS Name: N-butyl-N-methylcarbamic acid [3-(methoxycarbonylamino)phenyl] ester
OPENEYE Name: [3-(methoxycarbonylamino)phenyl] N-butyl-N-methyl-carbamate
IUPAC Name: [3-(methoxycarbonylamino)phenyl] N-butyl-N-methylcarbamate
SYSTEMATIC NAME: [3-(methoxycarbonylamino)phenyl] N-butyl-N-methyl-carbamate
MOLECULAR FORMULA: C14H20N2O4
MOLECULAR WEIGHT: 280.3196
SMILES: CCCCN(C)C(=O)OC1=CC=CC(=C1)NC(=O)OC
Structure:
CAS RN: 19961-93-4
CAS Name: N,N-di(propan-2-yl)carbamic acid [3-(methoxycarbonylamino)phenyl] ester
OPENEYE Name: [3-(methoxycarbonylamino)phenyl] N,N-diisopropylcarbamate
IUPAC Name: [3-(methoxycarbonylamino)phenyl] N,N-di(propan-2-yl)carbamate
SYSTEMATIC NAME: [3-(methoxycarbonylamino)phenyl] N,N-di(propan-2-yl)carbamate
MOLECULAR FORMULA: C15H22N2O4
MOLECULAR WEIGHT: 294.34618
SMILES: CC(C)N(C(C)C)C(=O)OC1=CC=CC(=C1)NC(=O)OC
Structure:
CAS RN: 19961-66-1
CAS Name: N,N-diethylcarbamic acid [3-(methoxycarbonylamino)phenyl] ester
OPENEYE Name: [3-(methoxycarbonylamino)phenyl] N,N-diethylcarbamate
IUPAC Name: [3-(methoxycarbonylamino)phenyl] N,N-diethylcarbamate
SYSTEMATIC NAME: [3-(methoxycarbonylamino)phenyl] N,N-diethylcarbamate
MOLECULAR FORMULA: C13H18N2O4
MOLECULAR WEIGHT: 266.29302
SMILES: CCN(CC)C(=O)OC1=CC=CC(=C1)NC(=O)OC
Structure:
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