CAS RN: 41244-56-8
CAS Name: 2-chloro-1-[(2-chloro-4-isothiocyanatophenyl)thio]-4-isothiocyanatobenzene
OPENEYE Name: 2-chloro-1-(2-chloro-4-isothiocyanato-phenyl)sulfanyl-4-isothiocyanato-benzene
IUPAC Name: 2-chloro-1-(2-chloro-4-isothiocyanatophenyl)sulfanyl-4-isothiocyanatobenzene
SYSTEMATIC NAME: 2-chloranyl-1-(2-chloranyl-4-isothiocyanato-phenyl)sulfanyl-4-isothiocyanato-benzene
MOLECULAR FORMULA: C14H6Cl2N2S3
MOLECULAR WEIGHT: 369.31184
SMILES: C1=CC(=C(C=C1N=C=S)Cl)SC2=C(C=C(C=C2)N=C=S)Cl
Structure:
CAS RN: 41244-60-4
CAS Name: 4-isothiocyanato-1-(4-isothiocyanato-2-methoxyphenyl)sulfonyl-2-methoxybenzene
OPENEYE Name: 4-isothiocyanato-1-(4-isothiocyanato-2-methoxy-phenyl)sulfonyl-2-methoxy-benzene
IUPAC Name: 4-isothiocyanato-1-(4-isothiocyanato-2-methoxyphenyl)sulfonyl-2-methoxybenzene
SYSTEMATIC NAME: 4-isothiocyanato-1-(4-isothiocyanato-2-methoxy-phenyl)sulfonyl-2-methoxy-benzene
MOLECULAR FORMULA: C16H12N2O4S3
MOLECULAR WEIGHT: 392.47248
SMILES: COC1=C(C=CC(=C1)N=C=S)S(=O)(=O)C2=C(C=C(C=C2)N=C=S)OC
Structure:
CAS RN: 4124-76-9
CAS Name: 1-ethoxy-4-(4-ethoxy-3-isothiocyanatophenyl)sulfonyl-2-isothiocyanatobenzene
OPENEYE Name: 1-ethoxy-4-(4-ethoxy-3-isothiocyanato-phenyl)sulfonyl-2-isothiocyanato-benzene
IUPAC Name: 1-ethoxy-4-(4-ethoxy-3-isothiocyanatophenyl)sulfonyl-2-isothiocyanatobenzene
SYSTEMATIC NAME: 1-ethoxy-4-(4-ethoxy-3-isothiocyanato-phenyl)sulfonyl-2-isothiocyanato-benzene
MOLECULAR FORMULA: C18H16N2O4S3
MOLECULAR WEIGHT: 420.52564
SMILES: CCOC1=C(C=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)OCC)N=C=S)N=C=S
Structure:
CAS RN: 4430-49-3
CAS Name: 1-isothiocyanato-4-(4-isothiocyanatophenyl)sulfonylbenzene
OPENEYE Name: 1-isothiocyanato-4-(4-isothiocyanatophenyl)sulfonyl-benzene
IUPAC Name: 1-isothiocyanato-4-(4-isothiocyanatophenyl)sulfonylbenzene
SYSTEMATIC NAME: 1-isothiocyanato-4-(4-isothiocyanatophenyl)sulfonyl-benzene
MOLECULAR FORMULA: C14H8N2O2S3
MOLECULAR WEIGHT: 332.42052
SMILES: C1=CC(=CC=C1N=C=S)S(=O)(=O)C2=CC=C(C=C2)N=C=S
Structure:
CAS RN: 40939-76-2
CAS Name: 1-isothiocyanato-3-(3-isothiocyanatophenyl)sulfonylbenzene
OPENEYE Name: 1-isothiocyanato-3-(3-isothiocyanatophenyl)sulfonyl-benzene
IUPAC Name: 1-isothiocyanato-3-(3-isothiocyanatophenyl)sulfonylbenzene
SYSTEMATIC NAME: 1-isothiocyanato-3-(3-isothiocyanatophenyl)sulfonyl-benzene
MOLECULAR FORMULA: C14H8N2O2S3
MOLECULAR WEIGHT: 332.42052
SMILES: C1=CC(=CC(=C1)S(=O)(=O)C2=CC=CC(=C2)N=C=S)N=C=S
Structure:
CAS RN: 41244-61-5
CAS Name: 1-isothiocyanato-3-(3-isothiocyanatophenyl)sulfonylbenzene
OPENEYE Name: 1-isothiocyanato-3-(3-isothiocyanatophenyl)sulfonyl-benzene
IUPAC Name: 1-isothiocyanato-3-(3-isothiocyanatophenyl)sulfonylbenzene
SYSTEMATIC NAME: 1-isothiocyanato-3-(3-isothiocyanatophenyl)sulfonyl-benzene
MOLECULAR FORMULA: C14H8N2O2S3
MOLECULAR WEIGHT: 332.42052
SMILES: C1=CC(=CC(=C1)S(=O)(=O)C2=CC=CC(=C2)N=C=S)N=C=S
Structure:
CAS RN: 35272-15-2
CAS Name: 2-methyl-4-thiazolecarboxylic acid
OPENEYE Name: 2-methylthiazole-4-carboxylic acid
IUPAC Name: 2-methyl-1,3-thiazole-4-carboxylic acid
SYSTEMATIC NAME: 2-methyl-1,3-thiazole-4-carboxylic acid
MOLECULAR FORMULA: C5H5NO2S
MOLECULAR WEIGHT: 143.1637
SMILES: CC1=NC(=CS1)C(=O)O
Structure:
CAS RN: 57420-27-6
CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)butanedioic acid
OPENEYE Name: 2-(1,3-benzodioxol-5-ylmethyl)butanedioic acid
IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)butanedioic acid
SYSTEMATIC NAME: 2-(1,3-benzodioxol-5-ylmethyl)butanedioic acid
MOLECULAR FORMULA: C12H12O6
MOLECULAR WEIGHT: 252.22008
SMILES: C1OC2=C(O1)C=C(C=C2)CC(CC(=O)O)C(=O)O
Structure:
CAS RN: 75803-39-3
CAS Name: (2-amino-5-chlorophenyl)-(1H-pyrrol-2-yl)methanone
OPENEYE Name: (2-amino-5-chloro-phenyl)-(1H-pyrrol-2-yl)methanone
IUPAC Name: (2-amino-5-chlorophenyl)-(1H-pyrrol-2-yl)methanone
SYSTEMATIC NAME: (2-azanyl-5-chloranyl-phenyl)-(1H-pyrrol-2-yl)methanone
MOLECULAR FORMULA: C11H9ClN2O
MOLECULAR WEIGHT: 220.65496
SMILES: C1=CNC(=C1)C(=O)C2=C(C=CC(=C2)Cl)N
Structure:
CAS RN: 85699-62-3
CAS Name: 3-hydroxy-2-methyl-5-(3-methyl-2-oxiranyl)-2,3-dihydropyran-6-one
OPENEYE Name: 3-hydroxy-2-methyl-5-(3-methyloxiran-2-yl)-2,3-dihydropyran-6-one
IUPAC Name: 3-hydroxy-2-methyl-5-(3-methyloxiran-2-yl)-2,3-dihydropyran-6-one
SYSTEMATIC NAME: 2-methyl-5-(3-methyloxiran-2-yl)-3-oxidanyl-2,3-dihydropyran-6-one
MOLECULAR FORMULA: C9H12O4
MOLECULAR WEIGHT: 184.18918
SMILES: CC1C(C=C(C(=O)O1)C2C(O2)C)O
Structure:
CAS RN: 31377-99-8
CAS Name: 2-[(4-methylphenyl)sulfonylthio]-1-(4-nitrophenyl)ethanone
OPENEYE Name: 1-(4-nitrophenyl)-2-(p-tolylsulfonylsulfanyl)ethanone
IUPAC Name: 2-(4-methylphenyl)sulfonylsulfanyl-1-(4-nitrophenyl)ethanone
SYSTEMATIC NAME: 2-(4-methylphenyl)sulfonylsulfanyl-1-(4-nitrophenyl)ethanone
MOLECULAR FORMULA: C15H13NO5S2
MOLECULAR WEIGHT: 351.39742
SMILES: CC1=CC=C(C=C1)S(=O)(=O)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 16816-30-1
CAS Name: 2-[[4-methyl-2-[[4-methyl-1-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]pentyl]amino]-1-oxopentyl]amino]acetic acid methyl ester
OPENEYE Name: methyl 2-[[2-[[2-[2-(benzyloxycarbonylamino)propanoylamino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]acetate
IUPAC Name: methyl 2-[[4-methyl-2-[[4-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]pentanoyl]amino]pentanoyl]amino]acetate
SYSTEMATIC NAME: methyl 2-[[4-methyl-2-[[4-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]pentanoyl]amino]pentanoyl]amino]ethanoate
MOLECULAR FORMULA: C26H40N4O7
MOLECULAR WEIGHT: 520.6184
SMILES: CC(C)CC(C(=O)NC(CC(C)C)C(=O)NCC(=O)OC)NC(=O)C(C)NC(=O)OCC1=CC=CC=C1
Structure:
CAS RN: 23282-91-9
CAS Name: 8-methoxy-11-benzo[c][1]benzazepinone
OPENEYE Name: 8-methoxybenzo[c][1]benzazepin-11-one
IUPAC Name: 8-methoxybenzo[c][1]benzazepin-11-one
SYSTEMATIC NAME: 8-methoxybenzo[c][1]benzazepin-11-one
MOLECULAR FORMULA: C15H11NO2
MOLECULAR WEIGHT: 237.25334
SMILES: COC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3N=C2
Structure:
CAS RN: 13043-98-6
CAS Name: heptanedihydrazide
OPENEYE Name: heptanedihydrazide
IUPAC Name: heptanedihydrazide
SYSTEMATIC NAME: heptanedihydrazide
MOLECULAR FORMULA: C7H16N4O2
MOLECULAR WEIGHT: 188.22754
SMILES: C(CCC(=O)NN)CCC(=O)NN
Structure:
CAS RN: 4959-99-3
CAS Name: 3-pyrano[3,2-f]quinolinone
OPENEYE Name: pyrano[3,2-f]quinolin-3-one
IUPAC Name: pyrano[3,2-f]quinolin-3-one
SYSTEMATIC NAME: pyrano[3,2-f]quinolin-3-one
MOLECULAR FORMULA: C12H7NO2
MOLECULAR WEIGHT: 197.18948
SMILES: C1=CC2=C(C=CC3=C2C=CC(=O)O3)N=C1
Structure:
CAS RN: 19026-83-6
CAS Name: N-(1-adamantyl)-2-propenamide
OPENEYE Name: N-(1-adamantyl)prop-2-enamide
IUPAC Name: N-(1-adamantyl)prop-2-enamide
SYSTEMATIC NAME: N-(1-adamantyl)prop-2-enamide
MOLECULAR FORMULA: C13H19NO
MOLECULAR WEIGHT: 205.29606
SMILES: C=CC(=O)NC12CC3CC(C1)CC(C3)C2
Structure:
CAS RN: 24940-56-5
CAS Name: 1-(1-adamantyl)-5-ethyltetrazole
OPENEYE Name: 1-(1-adamantyl)-5-ethyl-tetrazole
IUPAC Name: 1-(1-adamantyl)-5-ethyltetrazole
SYSTEMATIC NAME: 1-(1-adamantyl)-5-ethyl-1,2,3,4-tetrazole
MOLECULAR FORMULA: C13H20N4
MOLECULAR WEIGHT: 232.3247
SMILES: CCC1=NN=NN1C23CC4CC(C2)CC(C4)C3
Structure:
CAS RN: 24886-62-2
CAS Name: 1-(1-adamantyl)-5-methyltetrazole
OPENEYE Name: 1-(1-adamantyl)-5-methyl-tetrazole
IUPAC Name: 1-(1-adamantyl)-5-methyltetrazole
SYSTEMATIC NAME: 1-(1-adamantyl)-5-methyl-1,2,3,4-tetrazole
MOLECULAR FORMULA: C12H18N4
MOLECULAR WEIGHT: 218.29812
SMILES: CC1=NN=NN1C23CC4CC(C2)CC(C4)C3
Structure:
CAS RN: 31875-40-8
CAS Name: 4-[6-chloro-2-(methylthio)-9-purinyl]-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol
OPENEYE Name: 4-(6-chloro-2-methylsulfanyl-purin-9-yl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol
IUPAC Name: 4-(6-chloro-2-methylsulfanylpurin-9-yl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol
SYSTEMATIC NAME: 4-(6-chloranyl-2-methylsulfanyl-purin-9-yl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol
MOLECULAR FORMULA: C12H13ClN4O3S
MOLECULAR WEIGHT: 328.77462
SMILES: CSC1=NC2=C(C(=N1)Cl)N=CN2C3C=COC(C3O)CO
Structure:
CAS RN: 30624-97-6
CAS Name: 4-[6-chloro-2-(methylthio)-9-purinyl]-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol
OPENEYE Name: 4-(6-chloro-2-methylsulfanyl-purin-9-yl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol
IUPAC Name: 4-(6-chloro-2-methylsulfanylpurin-9-yl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol
SYSTEMATIC NAME: 4-(6-chloranyl-2-methylsulfanyl-purin-9-yl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol
MOLECULAR FORMULA: C12H13ClN4O3S
MOLECULAR WEIGHT: 328.77462
SMILES: CSC1=NC2=C(C(=N1)Cl)N=CN2C3C=COC(C3O)CO
Structure:
CAS RN: 50699-40-6
CAS Name: 2,2,4-trimethyl-6-oxobicyclo[2.2.2]octane-7,8-dicarboxylic acid
OPENEYE Name: 2,2,4-trimethyl-6-oxo-bicyclo[2.2.2]octane-7,8-dicarboxylic acid
IUPAC Name: 2,2,4-trimethyl-6-oxobicyclo[2.2.2]octane-7,8-dicarboxylic acid
SYSTEMATIC NAME: 2,2,4-trimethyl-6-oxidanylidene-bicyclo[2.2.2]octane-7,8-dicarboxylic acid
MOLECULAR FORMULA: C13H18O5
MOLECULAR WEIGHT: 254.27902
SMILES: CC1(CC2(CC(=O)C1C(C2C(=O)O)C(=O)O)C)C
Structure:
CAS RN: 33719-28-7
CAS Name: 4-amino-2-chlorobenzenesulfonyl fluoride
OPENEYE Name: 4-amino-2-chloro-benzenesulfonyl fluoride
IUPAC Name: 4-amino-2-chlorobenzenesulfonyl fluoride
SYSTEMATIC NAME: 4-azanyl-2-chloranyl-benzenesulfonyl fluoride
MOLECULAR FORMULA: C6H5ClFNO2S
MOLECULAR WEIGHT: 209.625803
SMILES: C1=CC(=C(C=C1N)Cl)S(=O)(=O)F
Structure:
CAS RN: 50855-43-1
CAS Name: 2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-1-(4-morpholinyl)ethanone; ethanesulfonic acid
OPENEYE Name: 2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-1-morpholino-ethanone; ethanesulfonic acid
IUPAC Name: 2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-1-morpholin-4-ylethanone; ethanesulfonic acid
SYSTEMATIC NAME: 2-[4-[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]-2-chloranyl-phenoxy]-1-morpholin-4-yl-ethanone; ethanesulfonic acid
MOLECULAR FORMULA: C19H29ClN6O6S
MOLECULAR WEIGHT: 504.98816
SMILES: CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC(=O)N3CCOCC3)Cl)N)N)C
Structure:
CAS RN: 3005-72-9
CAS Name: (1,1-dioxo-2-thiolanyl)-phenylmethanol
OPENEYE Name: (1,1-dioxothiolan-2-yl)-phenyl-methanol
IUPAC Name: (1,1-dioxothiolan-2-yl)-phenylmethanol
SYSTEMATIC NAME: [1,1-bis(oxidanylidene)thiolan-2-yl]-phenyl-methanol
MOLECULAR FORMULA: C11H14O3S
MOLECULAR WEIGHT: 226.29206
SMILES: C1CC(S(=O)(=O)C1)C(C2=CC=CC=C2)O
Structure:
CAS RN: 24463-72-7
CAS Name: (1,1-dioxo-2-thiolanyl)-phenylmethanol
OPENEYE Name: (1,1-dioxothiolan-2-yl)-phenyl-methanol
IUPAC Name: (1,1-dioxothiolan-2-yl)-phenylmethanol
SYSTEMATIC NAME: [1,1-bis(oxidanylidene)thiolan-2-yl]-phenyl-methanol
MOLECULAR FORMULA: C11H14O3S
MOLECULAR WEIGHT: 226.29206
SMILES: C1CC(S(=O)(=O)C1)C(C2=CC=CC=C2)O
Structure:
CAS RN: 24591-38-6
CAS Name: [5-[hydroxy(diphenyl)methyl]-1,1-dioxo-2-thiolanyl]-diphenylmethanol
OPENEYE Name: [5-[hydroxy(diphenyl)methyl]-1,1-dioxo-thiolan-2-yl]-diphenyl-methanol
IUPAC Name: [5-[hydroxy(diphenyl)methyl]-1,1-dioxothiolan-2-yl]-diphenylmethanol
SYSTEMATIC NAME: [5-[oxidanyl(diphenyl)methyl]-1,1-bis(oxidanylidene)thiolan-2-yl]-diphenyl-methanol
MOLECULAR FORMULA: C30H28O4S
MOLECULAR WEIGHT: 484.60592
SMILES: C1CC(S(=O)(=O)C1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O
Structure:
CAS RN: 24591-40-0
CAS Name: 1-[5-(1-hydroxy-2,2-dimethylpropyl)-1,1-dioxo-2-thiolanyl]-2,2-dimethyl-1-propanol
OPENEYE Name: 1-[5-(1-hydroxy-2,2-dimethyl-propyl)-1,1-dioxo-thiolan-2-yl]-2,2-dimethyl-propan-1-ol
IUPAC Name: 1-[5-(1-hydroxy-2,2-dimethylpropyl)-1,1-dioxothiolan-2-yl]-2,2-dimethylpropan-1-ol
SYSTEMATIC NAME: 1-[5-(2,2-dimethyl-1-oxidanyl-propyl)-1,1-bis(oxidanylidene)thiolan-2-yl]-2,2-dimethyl-propan-1-ol
MOLECULAR FORMULA: C14H28O4S
MOLECULAR WEIGHT: 292.43472
SMILES: CC(C)(C)C(C1CCC(S1(=O)=O)C(C(C)(C)C)O)O
Structure:
CAS RN: 24590-55-4
CAS Name: 1-methylsulfonyl-1-phenyl-2-propanol
OPENEYE Name: 1-methylsulfonyl-1-phenyl-propan-2-ol
IUPAC Name: 1-methylsulfonyl-1-phenylpropan-2-ol
SYSTEMATIC NAME: 1-methylsulfonyl-1-phenyl-propan-2-ol
MOLECULAR FORMULA: C10H14O3S
MOLECULAR WEIGHT: 214.28136
SMILES: CC(C(C1=CC=CC=C1)S(=O)(=O)C)O
Structure:
CAS RN: 21339-63-9
CAS Name: (bromo-nitro-phenylmethyl)sulfonylmethylbenzene
OPENEYE Name: (bromo-nitro-phenyl-methyl)sulfonylmethylbenzene
IUPAC Name: (bromo-nitro-phenylmethyl)sulfonylmethylbenzene
SYSTEMATIC NAME: (bromanyl-nitro-phenyl-methyl)sulfonylmethylbenzene
MOLECULAR FORMULA: C14H12BrNO4S
MOLECULAR WEIGHT: 370.21838
SMILES: C1=CC=C(C=C1)CS(=O)(=O)C(C2=CC=CC=C2)([N+](=O)[O-])Br
Structure:
CAS RN: 80387-94-6
CAS Name: [2-(phenylmethylthio)ethynylthio]methylbenzene
OPENEYE Name: 2-benzylsulfanylethynylsulfanylmethylbenzene
IUPAC Name: 2-benzylsulfanylethynylsulfanylmethylbenzene
SYSTEMATIC NAME: 2-(phenylmethylsulfanyl)ethynylsulfanylmethylbenzene
MOLECULAR FORMULA: C16H14S2
MOLECULAR WEIGHT: 270.41236
SMILES: C1=CC=C(C=C1)CSC#CSCC2=CC=CC=C2
Structure:
CAS RN: 104029-83-6
CAS Name: cyclopentylsulfonylcyclohexane
OPENEYE Name: cyclopentylsulfonylcyclohexane
IUPAC Name: cyclopentylsulfonylcyclohexane
SYSTEMATIC NAME: cyclopentylsulfonylcyclohexane
MOLECULAR FORMULA: C11H20O2S
MOLECULAR WEIGHT: 216.3403
SMILES: C1CCC(CC1)S(=O)(=O)C2CCCC2
Structure:
CAS RN: 33240-34-5
CAS Name: 1,3-dibromoimidazolidine-2,4-dione
OPENEYE Name: 1,3-dibromoimidazolidine-2,4-dione
IUPAC Name: 1,3-dibromoimidazolidine-2,4-dione
SYSTEMATIC NAME: 1,3-bis(bromanyl)imidazolidine-2,4-dione
MOLECULAR FORMULA: C3H2Br2N2O2
MOLECULAR WEIGHT: 257.86818
SMILES: C1C(=O)N(C(=O)N1Br)Br
Structure:
CAS RN: 16303-58-5
CAS Name: 2-methyl-5-(5-methyl-2-thiophenyl)thiophene
OPENEYE Name: 2-methyl-5-(5-methyl-2-thienyl)thiophene
IUPAC Name: 2-methyl-5-(5-methylthiophen-2-yl)thiophene
SYSTEMATIC NAME: 2-methyl-5-(5-methylthiophen-2-yl)thiophene
MOLECULAR FORMULA: C10H10S2
MOLECULAR WEIGHT: 194.3164
SMILES: CC1=CC=C(S1)C2=CC=C(S2)C
Structure:
CAS RN: 10112-13-7
CAS Name: 1-[2,2-bis[(phenylmethyl)sulfonyl]-1-(1-piperidinyl)ethenyl]piperidine
OPENEYE Name: 1-[2,2-bis(benzylsulfonyl)-1-(1-piperidyl)vinyl]piperidine
IUPAC Name: 1-[2,2-bis(benzylsulfonyl)-1-piperidin-1-ylethenyl]piperidine
SYSTEMATIC NAME: 1-[2,2-bis[(phenylmethyl)sulfonyl]-1-piperidin-1-yl-ethenyl]piperidine
MOLECULAR FORMULA: C26H34N2O4S2
MOLECULAR WEIGHT: 502.68916
SMILES: C1CCN(CC1)C(=C(S(=O)(=O)CC2=CC=CC=C2)S(=O)(=O)CC3=CC=CC=C3)N4CCCCC4
Structure:
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