CAS RN: 73335-38-3
CAS Name: 1-amino-3-(methylthio)-1-propanesulfonic acid
OPENEYE Name: 1-amino-3-methylsulfanyl-propane-1-sulfonic acid
IUPAC Name: 1-amino-3-methylsulfanylpropane-1-sulfonic acid
SYSTEMATIC NAME: 1-azanyl-3-methylsulfanyl-propane-1-sulfonic acid
MOLECULAR FORMULA: C4H11NO3S2
MOLECULAR WEIGHT: 185.26504
SMILES: CSCCC(N)S(=O)(=O)O
Structure:
CAS RN: 22615-19-6
CAS Name: [[di(propan-2-yloxy)phosphinothioylthio]methylthio]-di(propan-2-yloxy)-sulfanylidenephosphorane
OPENEYE Name: diisopropoxyphosphinothioylsulfanylmethylsulfanyl-diisopropoxy-thioxo-$l^{5}-phosphane
IUPAC Name: di(propan-2-yloxy)phosphinothioylsulfanylmethylsulfanyl-di(propan-2-yloxy)-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: di(propan-2-yloxy)phosphinothioylsulfanylmethylsulfanyl-di(propan-2-yloxy)-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C13H30O4P2S4
MOLECULAR WEIGHT: 440.582422
SMILES: CC(C)OP(=S)(OC(C)C)SCSP(=S)(OC(C)C)OC(C)C
Structure:
CAS RN: 83704-01-2
CAS Name: 2,2,2-trichloro-N-[6-[(2,2,2-trichloro-1-oxoethyl)amino]hexyl]acetamide
OPENEYE Name: 2,2,2-trichloro-N-[6-[(2,2,2-trichloroacetyl)amino]hexyl]acetamide
IUPAC Name: 2,2,2-trichloro-N-[6-[(2,2,2-trichloroacetyl)amino]hexyl]acetamide
SYSTEMATIC NAME: 2,2,2-tris(chloranyl)-N-[6-[2,2,2-tris(chloranyl)ethanoylamino]hexyl]ethanamide
MOLECULAR FORMULA: C10H14Cl6N2O2
MOLECULAR WEIGHT: 406.94836
SMILES: C(CCCNC(=O)C(Cl)(Cl)Cl)CCNC(=O)C(Cl)(Cl)Cl
Structure:
CAS RN: 23906-13-0
CAS Name: (4,6-dimethyl-2-pyrimidinyl)hydrazine
OPENEYE Name: (4,6-dimethylpyrimidin-2-yl)hydrazine
IUPAC Name: (4,6-dimethylpyrimidin-2-yl)hydrazine
SYSTEMATIC NAME: (4,6-dimethylpyrimidin-2-yl)diazane
MOLECULAR FORMULA: C6H10N4
MOLECULAR WEIGHT: 138.1704
SMILES: CC1=CC(=NC(=N1)NN)C
Structure:
CAS RN: 16667-21-3
CAS Name: 1,1-dimethyl-3,3-bis(prop-2-enyl)urea
OPENEYE Name: 1,1-diallyl-3,3-dimethyl-urea
IUPAC Name: 1,1-dimethyl-3,3-bis(prop-2-enyl)urea
SYSTEMATIC NAME: 1,1-dimethyl-3,3-bis(prop-2-enyl)urea
MOLECULAR FORMULA: C9H16N2O
MOLECULAR WEIGHT: 168.23614
SMILES: CN(C)C(=O)N(CC=C)CC=C
Structure:
CAS RN: 470-89-3
CAS Name: ethoxy-(4-nitrophenoxy)-phenoxy-sulfanylidenephosphorane
OPENEYE Name: ethoxy-(4-nitrophenoxy)-phenoxy-thioxo-$l^{5}-phosphane
IUPAC Name: ethoxy-(4-nitrophenoxy)-phenoxy-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: ethoxy-(4-nitrophenoxy)-phenoxy-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C14H14NO5PS
MOLECULAR WEIGHT: 339.303421
SMILES: CCOP(=S)(OC1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 5253-38-3
CAS Name: 2,4-dichloro-1-[ethoxy(phenyl)phosphoryl]oxybenzene
OPENEYE Name: 2,4-dichloro-1-[ethoxy(phenyl)phosphoryl]oxy-benzene
IUPAC Name: 2,4-dichloro-1-[ethoxy(phenyl)phosphoryl]oxybenzene
SYSTEMATIC NAME: 2,4-bis(chloranyl)-1-[ethoxy(phenyl)phosphoryl]oxy-benzene
MOLECULAR FORMULA: C14H13Cl2O3P
MOLECULAR WEIGHT: 331.130981
SMILES: CCOP(=O)(C1=CC=CC=C1)OC2=C(C=C(C=C2)Cl)Cl
Structure:
CAS RN: 76659-94-4
CAS Name: 2,4-dichloro-1-[ethoxy(phenyl)phosphoryl]oxybenzene
OPENEYE Name: 2,4-dichloro-1-[ethoxy(phenyl)phosphoryl]oxy-benzene
IUPAC Name: 2,4-dichloro-1-[ethoxy(phenyl)phosphoryl]oxybenzene
SYSTEMATIC NAME: 2,4-bis(chloranyl)-1-[ethoxy(phenyl)phosphoryl]oxy-benzene
MOLECULAR FORMULA: C14H13Cl2O3P
MOLECULAR WEIGHT: 331.130981
SMILES: CCOP(=O)(C1=CC=CC=C1)OC2=C(C=C(C=C2)Cl)Cl
Structure:
CAS RN: 5525-99-5
CAS Name: 7-[ethoxy(phenyl)phosphinothioyl]oxy-4-methyl-1-benzopyran-2-one
OPENEYE Name: 7-[ethoxy(phenyl)phosphinothioyl]oxy-4-methyl-chromen-2-one
IUPAC Name: 7-[ethoxy(phenyl)phosphinothioyl]oxy-4-methylchromen-2-one
SYSTEMATIC NAME: 7-[ethoxy(phenyl)phosphinothioyl]oxy-4-methyl-chromen-2-one
MOLECULAR FORMULA: C18H17O4PS
MOLECULAR WEIGHT: 360.363941
SMILES: CCOP(=S)(C1=CC=CC=C1)OC2=CC3=C(C=C2)C(=CC(=O)O3)C
Structure:
CAS RN: 32797-32-3
CAS Name: [methyl(sulfino)amino]methane
OPENEYE Name: [methyl(sulfino)amino]methane
IUPAC Name: [methyl(sulfino)amino]methane
SYSTEMATIC NAME: [methyl(sulfino)amino]methane
MOLECULAR FORMULA: C2H7NO2S
MOLECULAR WEIGHT: 109.14748
SMILES: CN(C)S(=O)O
Structure:
CAS RN: 15205-49-9
CAS Name: 3-[prop-2-enoxy(trichloromethyl)phosphoryl]oxy-1-propene
OPENEYE Name: 3-[allyloxy(trichloromethyl)phosphoryl]oxyprop-1-ene
IUPAC Name: 3-[prop-2-enoxy(trichloromethyl)phosphoryl]oxyprop-1-ene
SYSTEMATIC NAME: 3-[prop-2-enoxy(trichloromethyl)phosphoryl]oxyprop-1-ene
MOLECULAR FORMULA: C7H10Cl3O3P
MOLECULAR WEIGHT: 279.485261
SMILES: C=CCOP(=O)(C(Cl)(Cl)Cl)OCC=C
Structure:
CAS RN: 21571-51-7
CAS Name: 2,4-dichloro-1-(2-chloroethoxymethoxy)benzene
OPENEYE Name: 2,4-dichloro-1-(2-chloroethoxymethoxy)benzene
IUPAC Name: 2,4-dichloro-1-(2-chloroethoxymethoxy)benzene
SYSTEMATIC NAME: 2,4-bis(chloranyl)-1-(2-chloroethyloxymethoxy)benzene
MOLECULAR FORMULA: C9H9Cl3O2
MOLECULAR WEIGHT: 255.52556
SMILES: C1=CC(=C(C=C1Cl)Cl)OCOCCCl
Structure:
CAS RN: 66929-09-7
CAS Name: 6-chlorobenzo[a]anthracene-7,12-dione
OPENEYE Name: 6-chlorobenzo[a]anthracene-7,12-dione
IUPAC Name: 6-chlorobenzo[a]anthracene-7,12-dione
SYSTEMATIC NAME: 6-chloranylbenzo[a]anthracene-7,12-dione
MOLECULAR FORMULA: C18H9ClO2
MOLECULAR WEIGHT: 292.71586
SMILES: C1=CC=C2C(=C1)C=C(C3=C2C(=O)C4=CC=CC=C4C3=O)Cl
Structure:
CAS RN: 78302-28-0
CAS Name: 1-bromobenzo[a]anthracene-7,12-dione
OPENEYE Name: 1-bromobenzo[a]anthracene-7,12-dione
IUPAC Name: 1-bromobenzo[a]anthracene-7,12-dione
SYSTEMATIC NAME: 1-bromanylbenzo[a]anthracene-7,12-dione
MOLECULAR FORMULA: C18H9BrO2
MOLECULAR WEIGHT: 337.16686
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C4=C(C=CC=C4Br)C=C3
Structure:
CAS RN: 35058-43-6
CAS Name: 6-chlorotetracene-5,12-dione
OPENEYE Name: 6-chlorotetracene-5,12-dione
IUPAC Name: 6-chlorotetracene-5,12-dione
SYSTEMATIC NAME: 6-chloranyltetracene-5,12-dione
MOLECULAR FORMULA: C18H9ClO2
MOLECULAR WEIGHT: 292.71586
SMILES: C1=CC=C2C(=C1)C=C3C(=C2Cl)C(=O)C4=CC=CC=C4C3=O
Structure:
CAS RN: 91037-86-4
CAS Name: 2-isocyanato-4-isothiocyanato-1-methylbenzene
OPENEYE Name: 2-isocyanato-4-isothiocyanato-1-methyl-benzene
IUPAC Name: 2-isocyanato-4-isothiocyanato-1-methylbenzene
SYSTEMATIC NAME: 2-isocyanato-4-isothiocyanato-1-methyl-benzene
MOLECULAR FORMULA: C9H6N2OS
MOLECULAR WEIGHT: 190.22174
SMILES: CC1=C(C=C(C=C1)N=C=S)N=C=O
Structure:
CAS RN: 24171-17-3
CAS Name: N,N-dimethylcarbamodithioic acid 4-morpholinyl ester
OPENEYE Name: morpholino N,N-dimethylcarbamodithioate
IUPAC Name: morpholin-4-yl N,N-dimethylcarbamodithioate
SYSTEMATIC NAME: morpholin-4-yl N,N-dimethylcarbamodithioate
MOLECULAR FORMULA: C7H14N2OS2
MOLECULAR WEIGHT: 206.32886
SMILES: CN(C)C(=S)SN1CCOCC1
Structure:
CAS RN: 4998-28-1
CAS Name: 1-chloro-2,4-diisocyanatobenzene
OPENEYE Name: 1-chloro-2,4-diisocyanato-benzene
IUPAC Name: 1-chloro-2,4-diisocyanatobenzene
SYSTEMATIC NAME: 1-chloranyl-2,4-diisocyanato-benzene
MOLECULAR FORMULA: C8H3ClN2O2
MOLECULAR WEIGHT: 194.57462
SMILES: C1=CC(=C(C=C1N=C=O)N=C=O)Cl
Structure:
CAS RN: 4371-13-5
CAS Name: 2-[4-[4-(2-hydroxyethyl)phenyl]phenyl]ethanol
OPENEYE Name: 2-[4-[4-(2-hydroxyethyl)phenyl]phenyl]ethanol
IUPAC Name: 2-[4-[4-(2-hydroxyethyl)phenyl]phenyl]ethanol
SYSTEMATIC NAME: 2-[4-[4-(2-hydroxyethyl)phenyl]phenyl]ethanol
MOLECULAR FORMULA: C16H18O2
MOLECULAR WEIGHT: 242.31292
SMILES: C1=CC(=CC=C1CCO)C2=CC=C(C=C2)CCO
Structure:
CAS RN: 86806-70-4
CAS Name: 5-chlorothiophene-2,4-disulfonyl chloride
OPENEYE Name: 5-chlorothiophene-2,4-disulfonyl chloride
IUPAC Name: 5-chlorothiophene-2,4-disulfonyl chloride
SYSTEMATIC NAME: 5-chloranylthiophene-2,4-disulfonyl chloride
MOLECULAR FORMULA: C4HCl3O4S3
MOLECULAR WEIGHT: 315.60234
SMILES: C1=C(SC(=C1S(=O)(=O)Cl)Cl)S(=O)(=O)Cl
Structure:
CAS RN: 81853-96-5
CAS Name: (5-chloro-2-thiophenyl)-(2,4-dichlorophenyl)methanone
OPENEYE Name: (5-chloro-2-thienyl)-(2,4-dichlorophenyl)methanone
IUPAC Name: (5-chlorothiophen-2-yl)-(2,4-dichlorophenyl)methanone
SYSTEMATIC NAME: (5-chloranylthiophen-2-yl)-(2,4-dichlorophenyl)methanone
MOLECULAR FORMULA: C11H5Cl3OS
MOLECULAR WEIGHT: 291.5808
SMILES: C1=CC(=C(C=C1Cl)Cl)C(=O)C2=CC=C(S2)Cl
Structure:
CAS RN: 65398-48-3
CAS Name: methanamine; methylcarbamic acid
OPENEYE Name: methanamine; methylcarbamic acid
IUPAC Name: methanamine; methylcarbamic acid
SYSTEMATIC NAME: methanamine; methylcarbamic acid
MOLECULAR FORMULA: C3H10N2O2
MOLECULAR WEIGHT: 106.1237
SMILES: CN.CNC(=O)O
Structure:
CAS RN: 1547-87-1
CAS Name: 2,2,2-trifluoro-N,N-dimethylacetamide
OPENEYE Name: 2,2,2-trifluoro-N,N-dimethyl-acetamide
IUPAC Name: 2,2,2-trifluoro-N,N-dimethylacetamide
SYSTEMATIC NAME: 2,2,2-tris(fluoranyl)-N,N-dimethyl-ethanamide
MOLECULAR FORMULA: C4H6F3NO
MOLECULAR WEIGHT: 141.09175
SMILES: CN(C)C(=O)C(F)(F)F
Structure:
CAS RN: 54554-68-6
CAS Name: 4-ethyl-1-phenylpyrazolidine-3,5-dione
OPENEYE Name: 4-ethyl-1-phenyl-pyrazolidine-3,5-dione
IUPAC Name: 4-ethyl-1-phenylpyrazolidine-3,5-dione
SYSTEMATIC NAME: 4-ethyl-1-phenyl-pyrazolidine-3,5-dione
MOLECULAR FORMULA: C11H12N2O2
MOLECULAR WEIGHT: 204.22518
SMILES: CCC1C(=O)NN(C1=O)C2=CC=CC=C2
Structure:
CAS RN: 30038-80-3
CAS Name: 1-(4-morpholinyl)-2-[4-[2-(4-morpholinyl)-2-sulfanylideneethyl]phenyl]ethanethione
OPENEYE Name: 1-morpholino-2-[4-(2-morpholino-2-thioxo-ethyl)phenyl]ethanethione
IUPAC Name: 1-morpholin-4-yl-2-[4-(2-morpholin-4-yl-2-sulfanylideneethyl)phenyl]ethanethione
SYSTEMATIC NAME: 1-morpholin-4-yl-2-[4-(2-morpholin-4-yl-2-sulfanylidene-ethyl)phenyl]ethanethione
MOLECULAR FORMULA: C18H24N2O2S2
MOLECULAR WEIGHT: 364.52536
SMILES: C1COCCN1C(=S)CC2=CC=C(C=C2)CC(=S)N3CCOCC3
Structure:
CAS RN: 73013-69-1
CAS Name: 2-methyl-6-quinolinecarbonitrile
OPENEYE Name: 2-methylquinoline-6-carbonitrile
IUPAC Name: 2-methylquinoline-6-carbonitrile
SYSTEMATIC NAME: 2-methylquinoline-6-carbonitrile
MOLECULAR FORMULA: C11H8N2
MOLECULAR WEIGHT: 168.19462
SMILES: CC1=NC2=C(C=C1)C=C(C=C2)C#N
Structure:
CAS RN: 602-73-3
CAS Name: 1,3-dichloroanthracene-9,10-dione
OPENEYE Name: 1,3-dichloroanthracene-9,10-dione
IUPAC Name: 1,3-dichloroanthracene-9,10-dione
SYSTEMATIC NAME: 1,3-bis(chloranyl)anthracene-9,10-dione
MOLECULAR FORMULA: C14H6Cl2O2
MOLECULAR WEIGHT: 277.10224
SMILES: C1=CC=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)Cl)Cl
Structure:
CAS RN: 22422-60-2
CAS Name: 1,6-bis(1-piperidinyl)hexane-1,6-dione
OPENEYE Name: 1,6-bis(1-piperidyl)hexane-1,6-dione
IUPAC Name: 1,6-di(piperidin-1-yl)hexane-1,6-dione
SYSTEMATIC NAME: 1,6-di(piperidin-1-yl)hexane-1,6-dione
MOLECULAR FORMULA: C16H28N2O2
MOLECULAR WEIGHT: 280.40572
SMILES: C1CCN(CC1)C(=O)CCCCC(=O)N2CCCCC2
Structure:
CAS RN: 92897-32-0
CAS Name: 6,7-dihydro-5H-thiazolo[3,2-a]pyrimidin-3-one
OPENEYE Name: 6,7-dihydro-5H-thiazolo[3,2-a]pyrimidin-3-one
IUPAC Name: 6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
SYSTEMATIC NAME: 6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
MOLECULAR FORMULA: C6H8N2OS
MOLECULAR WEIGHT: 156.20552
SMILES: C1CN=C2N(C1)C(=O)CS2
Structure:
CAS RN: 7411-22-5
CAS Name: 3,5-bis(methylthio)-1H-1,2,4-triazole
OPENEYE Name: 3,5-bis(methylsulfanyl)-1H-1,2,4-triazole
IUPAC Name: 3,5-bis(methylsulfanyl)-1H-1,2,4-triazole
SYSTEMATIC NAME: 3,5-bis(methylsulfanyl)-1H-1,2,4-triazole
MOLECULAR FORMULA: C4H7N3S2
MOLECULAR WEIGHT: 161.24848
SMILES: CSC1=NC(=NN1)SC
Structure:
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