CAS RN: 7464-12-2
CAS Name: 2-methyl-5,6-dihydrothiazolo[4,5-d]pyridazine-4,7-dione
OPENEYE Name: 2-methyl-5,6-dihydrothiazolo[4,5-d]pyridazine-4,7-dione
IUPAC Name: 2-methyl-5,6-dihydro-[1,3]thiazolo[4,5-d]pyridazine-4,7-dione
SYSTEMATIC NAME: 2-methyl-5,6-dihydro-[1,3]thiazolo[4,5-d]pyridazine-4,7-dione
MOLECULAR FORMULA: C6H5N3O2S
MOLECULAR WEIGHT: 183.1878
SMILES: CC1=NC2=C(S1)C(=O)NNC2=O
Structure:
CAS RN: 7464-11-1
CAS Name: 5,7-dichloro-2-methylthiazolo[5,4-d]pyrimidine
OPENEYE Name: 5,7-dichloro-2-methyl-thiazolo[5,4-d]pyrimidine
IUPAC Name: 5,7-dichloro-2-methyl-[1,3]thiazolo[5,4-d]pyrimidine
SYSTEMATIC NAME: 5,7-bis(chloranyl)-2-methyl-[1,3]thiazolo[5,4-d]pyrimidine
MOLECULAR FORMULA: C6H3Cl2N3S
MOLECULAR WEIGHT: 220.07912
SMILES: CC1=NC2=C(S1)N=C(N=C2Cl)Cl
Structure:
CAS RN: 7464-10-0
CAS Name: thiazole-4,5-dicarboxamide
OPENEYE Name: thiazole-4,5-dicarboxamide
IUPAC Name: 1,3-thiazole-4,5-dicarboxamide
SYSTEMATIC NAME: 1,3-thiazole-4,5-dicarboxamide
MOLECULAR FORMULA: C5H5N3O2S
MOLECULAR WEIGHT: 171.1771
SMILES: C1=NC(=C(S1)C(=O)N)C(=O)N
Structure:
CAS RN: 7464-09-7
CAS Name: 4H-thiazolo[4,5-d]pyrimidine-5,7-dione
OPENEYE Name: 4H-thiazolo[4,5-d]pyrimidine-5,7-dione
IUPAC Name: 4H-[1,3]thiazolo[4,5-d]pyrimidine-5,7-dione
SYSTEMATIC NAME: 4H-[1,3]thiazolo[4,5-d]pyrimidine-5,7-dione
MOLECULAR FORMULA: C5H3N3O2S
MOLECULAR WEIGHT: 169.16122
SMILES: C1=NC2=C(S1)C(=O)NC(=O)N2
Structure:
CAS RN: 7464-07-5
CAS Name: 5-chloropyrimidine-2,4,6-triamine; 2,4,6-trinitrophenol
OPENEYE Name: 5-chloropyrimidine-2,4,6-triamine; picric acid
IUPAC Name: 5-chloropyrimidine-2,4,6-triamine; 2,4,6-trinitrophenol
SYSTEMATIC NAME: 5-chloranylpyrimidine-2,4,6-triamine; 2,4,6-trinitrophenol
MOLECULAR FORMULA: C10H9ClN8O7
MOLECULAR WEIGHT: 388.68086
SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1(=C(N=C(N=C1N)N)N)Cl
Structure:
CAS RN: 71552-22-2
CAS Name: 2,6-diamino-5-chloro-1H-pyrimidin-4-one
OPENEYE Name: 2,6-diamino-5-chloro-1H-pyrimidin-4-one
IUPAC Name: 2,6-diamino-5-chloro-1H-pyrimidin-4-one
SYSTEMATIC NAME: 2,6-bis(azanyl)-5-chloranyl-1H-pyrimidin-4-one
MOLECULAR FORMULA: C4H5ClN4O
MOLECULAR WEIGHT: 160.5617
SMILES: C1(=C(NC(=NC1=O)N)N)Cl
Structure:
CAS RN: 89033-89-6
CAS Name: 5,6-dichloropyrimidine-2,4-diamine
OPENEYE Name: 5,6-dichloropyrimidine-2,4-diamine
IUPAC Name: 5,6-dichloropyrimidine-2,4-diamine
SYSTEMATIC NAME: 5,6-bis(chloranyl)pyrimidine-2,4-diamine
MOLECULAR FORMULA: C4H4Cl2N4
MOLECULAR WEIGHT: 179.00736
SMILES: C1(=C(N=C(N=C1Cl)N)N)Cl
Structure:
CAS RN: 51501-53-2
CAS Name: 4,5,6-trichloro-2-pyrimidinamine
OPENEYE Name: 4,5,6-trichloropyrimidin-2-amine
IUPAC Name: 4,5,6-trichloropyrimidin-2-amine
SYSTEMATIC NAME: 4,5,6-tris(chloranyl)pyrimidin-2-amine
MOLECULAR FORMULA: C4H2Cl3N3
MOLECULAR WEIGHT: 198.43778
SMILES: C1(=C(N=C(N=C1Cl)N)Cl)Cl
Structure:
CAS RN: 5568-49-0
CAS Name: 2-chloroacetic acid 8-quinolinyl ester
OPENEYE Name: 8-quinolyl 2-chloroacetate
IUPAC Name: quinolin-8-yl 2-chloroacetate
SYSTEMATIC NAME: quinolin-8-yl 2-chloranylethanoate
MOLECULAR FORMULA: C11H8ClNO2
MOLECULAR WEIGHT: 221.63972
SMILES: C1=CC2=C(C(=C1)OC(=O)CCl)N=CC=C2
Structure:
CAS RN: 7464-02-0
CAS Name: 2,5,8-trimethyl-4,7-dioxononanoic acid ethyl ester
OPENEYE Name: ethyl 2,5,8-trimethyl-4,7-dioxo-nonanoate
IUPAC Name: ethyl 2,5,8-trimethyl-4,7-dioxononanoate
SYSTEMATIC NAME: ethyl 2,5,8-trimethyl-4,7-bis(oxidanylidene)nonanoate
MOLECULAR FORMULA: C14H24O4
MOLECULAR WEIGHT: 256.33796
SMILES: CCOC(=O)C(C)CC(=O)C(C)CC(=O)C(C)C
Structure:
CAS RN: 94540-88-2
CAS Name: 1-(benzenesulfonyl)-2-methylnaphthalene
OPENEYE Name: 1-(benzenesulfonyl)-2-methyl-naphthalene
IUPAC Name: 1-(benzenesulfonyl)-2-methylnaphthalene
SYSTEMATIC NAME: 2-methyl-1-(phenylsulfonyl)naphthalene
MOLECULAR FORMULA: C17H14O2S
MOLECULAR WEIGHT: 282.35686
SMILES: CC1=C(C2=CC=CC=C2C=C1)S(=O)(=O)C3=CC=CC=C3
Structure:
CAS RN: 21991-08-2
CAS Name: 2-(2,4,6-trimethylphenyl)sulfonylthiophene
OPENEYE Name: 2-(2,4,6-trimethylphenyl)sulfonylthiophene
IUPAC Name: 2-(2,4,6-trimethylphenyl)sulfonylthiophene
SYSTEMATIC NAME: 2-(2,4,6-trimethylphenyl)sulfonylthiophene
MOLECULAR FORMULA: C13H14O2S2
MOLECULAR WEIGHT: 266.37906
SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)C2=CC=CS2)C
Structure:
CAS RN: 54863-62-6
CAS Name: 1-methylsulfonyldecane
OPENEYE Name: 1-methylsulfonyldecane
IUPAC Name: 1-methylsulfonyldecane
SYSTEMATIC NAME: 1-methylsulfonyldecane
MOLECULAR FORMULA: C11H24O2S
MOLECULAR WEIGHT: 220.37206
SMILES: CCCCCCCCCCS(=O)(=O)C
Structure:
CAS RN: 77970-55-9
CAS Name: 5-(benzenesulfonyl)-2-pentanone
OPENEYE Name: 5-(benzenesulfonyl)pentan-2-one
IUPAC Name: 5-(benzenesulfonyl)pentan-2-one
SYSTEMATIC NAME: 5-(phenylsulfonyl)pentan-2-one
MOLECULAR FORMULA: C11H14O3S
MOLECULAR WEIGHT: 226.29206
SMILES: CC(=O)CCCS(=O)(=O)C1=CC=CC=C1
Structure:
CAS RN: 14633-46-6
CAS Name: cyclopentylsulfonylbenzene
OPENEYE Name: cyclopentylsulfonylbenzene
IUPAC Name: cyclopentylsulfonylbenzene
SYSTEMATIC NAME: cyclopentylsulfonylbenzene
MOLECULAR FORMULA: C11H14O2S
MOLECULAR WEIGHT: 210.29266
SMILES: C1CCC(C1)S(=O)(=O)C2=CC=CC=C2
Structure:
CAS RN: 51417-12-0
CAS Name: cyclopropylsulfonylmethylbenzene
OPENEYE Name: cyclopropylsulfonylmethylbenzene
IUPAC Name: cyclopropylsulfonylmethylbenzene
SYSTEMATIC NAME: cyclopropylsulfonylmethylbenzene
MOLECULAR FORMULA: C10H12O2S
MOLECULAR WEIGHT: 196.26608
SMILES: C1CC1S(=O)(=O)CC2=CC=CC=C2
Structure:
CAS RN: 90205-32-6
CAS Name: 2,2-dimethyl-5-methylsulfonylpentanenitrile
OPENEYE Name: 2,2-dimethyl-5-methylsulfonyl-pentanenitrile
IUPAC Name: 2,2-dimethyl-5-methylsulfonylpentanenitrile
SYSTEMATIC NAME: 2,2-dimethyl-5-methylsulfonyl-pentanenitrile
MOLECULAR FORMULA: C8H15NO2S
MOLECULAR WEIGHT: 189.2752
SMILES: CC(C)(CCCS(=O)(=O)C)C#N
Structure:
CAS RN: 88411-81-8
CAS Name: 4-(methylthio)butanamide
OPENEYE Name: 4-methylsulfanylbutanamide
IUPAC Name: 4-methylsulfanylbutanamide
SYSTEMATIC NAME: 4-methylsulfanylbutanamide
MOLECULAR FORMULA: C5H11NOS
MOLECULAR WEIGHT: 133.21194
SMILES: CSCCCC(=O)N
Structure:
CAS RN: 39090-59-0
CAS Name: 1-methyl-4-[1,2,2-tris[(4-methylphenyl)thio]ethenylthio]benzene
OPENEYE Name: 1-methyl-4-[1,2,2-tris(p-tolylsulfanyl)vinylsulfanyl]benzene
IUPAC Name: 1-methyl-4-[1,2,2-tris[(4-methylphenyl)sulfanyl]ethenylsulfanyl]benzene
SYSTEMATIC NAME: 1-methyl-4-[1,2,2-tris[(4-methylphenyl)sulfanyl]ethenylsulfanyl]benzene
MOLECULAR FORMULA: C30H28S4
MOLECULAR WEIGHT: 516.80332
SMILES: CC1=CC=C(C=C1)SC(=C(SC2=CC=C(C=C2)C)SC3=CC=C(C=C3)C)SC4=CC=C(C=C4)C
Structure:
CAS RN: 39178-11-5
CAS Name: 1-(1-naphthalenyldisulfanyl)naphthalene
OPENEYE Name: 1-(1-naphthyldisulfanyl)naphthalene
IUPAC Name: 1-(naphthalen-1-yldisulfanyl)naphthalene
SYSTEMATIC NAME: 1-(naphthalen-1-yldisulfanyl)naphthalene
MOLECULAR FORMULA: C20H14S2
MOLECULAR WEIGHT: 318.45516
SMILES: C1=CC=C2C(=C1)C=CC=C2SSC3=CC=CC4=CC=CC=C43
Structure:
CAS RN: 1483-92-7
CAS Name: 1,3,5-trimethyl-2-[(2,4,6-trimethylphenyl)disulfanyl]benzene
OPENEYE Name: 1,3,5-trimethyl-2-[(2,4,6-trimethylphenyl)disulfanyl]benzene
IUPAC Name: 1,3,5-trimethyl-2-[(2,4,6-trimethylphenyl)disulfanyl]benzene
SYSTEMATIC NAME: 1,3,5-trimethyl-2-[(2,4,6-trimethylphenyl)disulfanyl]benzene
MOLECULAR FORMULA: C18H22S2
MOLECULAR WEIGHT: 302.49728
SMILES: CC1=CC(=C(C(=C1)C)SSC2=C(C=C(C=C2C)C)C)C
Structure:
CAS RN: 3112-79-6
CAS Name: 1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)sulfonylbenzene
OPENEYE Name: 1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)sulfonyl-benzene
IUPAC Name: 1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)sulfonylbenzene
SYSTEMATIC NAME: 1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)sulfonyl-benzene
MOLECULAR FORMULA: C18H22O2S
MOLECULAR WEIGHT: 302.43108
SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)C2=C(C=C(C=C2C)C)C)C
Structure:
CAS RN: 94540-87-1
CAS Name: 2-(benzenesulfonyl)-1-methylnaphthalene
OPENEYE Name: 2-(benzenesulfonyl)-1-methyl-naphthalene
IUPAC Name: 2-(benzenesulfonyl)-1-methylnaphthalene
SYSTEMATIC NAME: 1-methyl-2-(phenylsulfonyl)naphthalene
MOLECULAR FORMULA: C17H14O2S
MOLECULAR WEIGHT: 282.35686
SMILES: CC1=C(C=CC2=CC=CC=C12)S(=O)(=O)C3=CC=CC=C3
Structure:
CAS RN: 93153-24-3
CAS Name: 2,2-dimethyl-13-methylsulfonyltridecanenitrile
OPENEYE Name: 2,2-dimethyl-13-methylsulfonyl-tridecanenitrile
IUPAC Name: 2,2-dimethyl-13-methylsulfonyltridecanenitrile
SYSTEMATIC NAME: 2,2-dimethyl-13-methylsulfonyl-tridecanenitrile
MOLECULAR FORMULA: C16H31NO2S
MOLECULAR WEIGHT: 301.48784
SMILES: CC(C)(CCCCCCCCCCCS(=O)(=O)C)C#N
Structure:
CAS RN: 84113-59-7
CAS Name: 2-(4-methoxyphenyl)sulfonyl-1,3,5-trimethylbenzene
OPENEYE Name: 2-(4-methoxyphenyl)sulfonyl-1,3,5-trimethyl-benzene
IUPAC Name: 2-(4-methoxyphenyl)sulfonyl-1,3,5-trimethylbenzene
SYSTEMATIC NAME: 2-(4-methoxyphenyl)sulfonyl-1,3,5-trimethyl-benzene
MOLECULAR FORMULA: C16H18O3S
MOLECULAR WEIGHT: 290.37732
SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)C2=CC=C(C=C2)OC)C
Structure:
CAS RN: 21213-30-9
CAS Name: 2-(3-methoxyphenyl)sulfonyl-1,3,5-trimethylbenzene
OPENEYE Name: 2-(3-methoxyphenyl)sulfonyl-1,3,5-trimethyl-benzene
IUPAC Name: 2-(3-methoxyphenyl)sulfonyl-1,3,5-trimethylbenzene
SYSTEMATIC NAME: 2-(3-methoxyphenyl)sulfonyl-1,3,5-trimethyl-benzene
MOLECULAR FORMULA: C16H18O3S
MOLECULAR WEIGHT: 290.37732
SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)C2=CC=CC(=C2)OC)C
Structure:
CAS RN: 51431-75-5
CAS Name: 1,3,5-trimethyl-2-[[4-(trifluoromethyl)phenyl]thio]benzene
OPENEYE Name: 1,3,5-trimethyl-2-[4-(trifluoromethyl)phenyl]sulfanyl-benzene
IUPAC Name: 1,3,5-trimethyl-2-[4-(trifluoromethyl)phenyl]sulfanylbenzene
SYSTEMATIC NAME: 1,3,5-trimethyl-2-[4-(trifluoromethyl)phenyl]sulfanyl-benzene
MOLECULAR FORMULA: C16H15F3S
MOLECULAR WEIGHT: 296.35051
SMILES: CC1=CC(=C(C(=C1)C)SC2=CC=C(C=C2)C(F)(F)F)C
Structure:
CAS RN: 848-17-9
CAS Name: 1,3,5-trimethyl-2-[4-(trifluoromethyl)phenyl]sulfonylbenzene
OPENEYE Name: 1,3,5-trimethyl-2-[4-(trifluoromethyl)phenyl]sulfonyl-benzene
IUPAC Name: 1,3,5-trimethyl-2-[4-(trifluoromethyl)phenyl]sulfonylbenzene
SYSTEMATIC NAME: 1,3,5-trimethyl-2-[4-(trifluoromethyl)phenyl]sulfonyl-benzene
MOLECULAR FORMULA: C16H15F3O2S
MOLECULAR WEIGHT: 328.34931
SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F)C
Structure:
CAS RN: 86148-27-8
CAS Name: 1-methyl-4-[2-[(4-methylphenyl)thio]ethynylthio]benzene
OPENEYE Name: 1-methyl-4-[2-(p-tolylsulfanyl)ethynylsulfanyl]benzene
IUPAC Name: 1-methyl-4-[2-(4-methylphenyl)sulfanylethynylsulfanyl]benzene
SYSTEMATIC NAME: 1-methyl-4-[2-(4-methylphenyl)sulfanylethynylsulfanyl]benzene
MOLECULAR FORMULA: C16H14S2
MOLECULAR WEIGHT: 270.41236
SMILES: CC1=CC=C(C=C1)SC#CSC2=CC=C(C=C2)C
Structure:
CAS RN: 19202-43-8
CAS Name: 2,4-dimethyl-6-(phenylmethyl)benzenesulfonic acid
OPENEYE Name: 2-benzyl-4,6-dimethyl-benzenesulfonic acid
IUPAC Name: 2-benzyl-4,6-dimethylbenzenesulfonic acid
SYSTEMATIC NAME: 2,4-dimethyl-6-(phenylmethyl)benzenesulfonic acid
MOLECULAR FORMULA: C15H16O3S
MOLECULAR WEIGHT: 276.35074
SMILES: CC1=CC(=C(C(=C1)CC2=CC=CC=C2)S(=O)(=O)O)C
Structure:
CAS RN: 3112-82-1
CAS Name: 2-(benzenesulfonyl)-1,3,5-trimethylbenzene
OPENEYE Name: 2-(benzenesulfonyl)-1,3,5-trimethyl-benzene
IUPAC Name: 2-(benzenesulfonyl)-1,3,5-trimethylbenzene
SYSTEMATIC NAME: 1,3,5-trimethyl-2-(phenylsulfonyl)benzene
MOLECULAR FORMULA: C15H16O2S
MOLECULAR WEIGHT: 260.35134
SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)C2=CC=CC=C2)C
Structure:
CAS RN: 22944-35-0
CAS Name: 2-(4-chlorophenyl)sulfonyl-1,3,5-trimethylbenzene
OPENEYE Name: 2-(4-chlorophenyl)sulfonyl-1,3,5-trimethyl-benzene
IUPAC Name: 2-(4-chlorophenyl)sulfonyl-1,3,5-trimethylbenzene
SYSTEMATIC NAME: 2-(4-chlorophenyl)sulfonyl-1,3,5-trimethyl-benzene
MOLECULAR FORMULA: C15H15ClO2S
MOLECULAR WEIGHT: 294.7964
SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)C2=CC=C(C=C2)Cl)C
Structure:
CAS RN: 84538-93-2
CAS Name: (2-phenylprop-2-enylthio)benzene
OPENEYE Name: 2-phenylallylsulfanylbenzene
IUPAC Name: 2-phenylprop-2-enylsulfanylbenzene
SYSTEMATIC NAME: 2-phenylprop-2-enylsulfanylbenzene
MOLECULAR FORMULA: C15H14S
MOLECULAR WEIGHT: 226.33666
SMILES: C=C(CSC1=CC=CC=C1)C2=CC=CC=C2
Structure:
CAS RN: 67963-03-5
CAS Name: 1-(1-cyclohexenylsulfonyl)-4-methylbenzene
OPENEYE Name: 1-(cyclohexen-1-ylsulfonyl)-4-methyl-benzene
IUPAC Name: 1-(cyclohexen-1-ylsulfonyl)-4-methylbenzene
SYSTEMATIC NAME: 1-(cyclohexen-1-ylsulfonyl)-4-methyl-benzene
MOLECULAR FORMULA: C13H16O2S
MOLECULAR WEIGHT: 236.32994
SMILES: CC1=CC=C(C=C1)S(=O)(=O)C2=CCCCC2
Structure:
CAS RN: 7501-95-3
CAS Name: 1-butylsulfonyloctane
OPENEYE Name: 1-butylsulfonyloctane
IUPAC Name: 1-butylsulfonyloctane
SYSTEMATIC NAME: 1-butylsulfonyloctane
MOLECULAR FORMULA: C12H26O2S
MOLECULAR WEIGHT: 234.39864
SMILES: CCCCCCCCS(=O)(=O)CCCC
Structure:
CAS RN: 1076-31-9
CAS Name: 6-methyl-1-benzothiopyran-4-one
OPENEYE Name: 6-methylthiochromen-4-one
IUPAC Name: 6-methylthiochromen-4-one
SYSTEMATIC NAME: 6-methylthiochromen-4-one
MOLECULAR FORMULA: C10H8OS
MOLECULAR WEIGHT: 176.23492
SMILES: CC1=CC2=C(C=C1)SC=CC2=O
Structure:
CAS RN: 4362-71-4
CAS Name: 6-methyloxathiane 2,2-dioxide
OPENEYE Name: 6-methyloxathiane 2,2-dioxide
IUPAC Name: 6-methyloxathiane 2,2-dioxide
SYSTEMATIC NAME: 6-methyl-1,2-oxathiane 2,2-dioxide
MOLECULAR FORMULA: C5H10O3S
MOLECULAR WEIGHT: 150.1961
SMILES: CC1CCCS(=O)(=O)O1
Structure:
CAS RN: 39662-68-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H16N2O
MOLECULAR WEIGHT: 288.34314
SMILES: C1CN2C(CC3=CC=CC=C3C2=O)C4=C1C5=CC=CC=C5N4
Structure:
CAS RN: 2289-03-4
CAS Name: 1-oxo-2-benzopyran-3-carboxylic acid
OPENEYE Name: 1-oxoisochromene-3-carboxylic acid
IUPAC Name: 1-oxoisochromene-3-carboxylic acid
SYSTEMATIC NAME: 1-oxidanylideneisochromene-3-carboxylic acid
MOLECULAR FORMULA: C10H6O4
MOLECULAR WEIGHT: 190.15224
SMILES: C1=CC=C2C(=C1)C=C(OC2=O)C(=O)O
Structure:
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