CAS RN: 13486-25-4
CAS Name: 4-(1,3-benzothiazol-2-ylazo)-N-methyl-N-phenylaniline
OPENEYE Name: 4-(1,3-benzothiazol-2-ylazo)-N-methyl-N-phenyl-aniline
IUPAC Name: 4-(1,3-benzothiazol-2-yldiazenyl)-N-methyl-N-phenylaniline
SYSTEMATIC NAME: 4-(1,3-benzothiazol-2-yldiazenyl)-N-methyl-N-phenyl-aniline
MOLECULAR FORMULA: C20H16N4S
MOLECULAR WEIGHT: 344.43284
SMILES: CN(C1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=NC4=CC=CC=C4S3
Structure:
CAS RN: 37566-40-8
CAS Name: 5-chloro-1,3,4-thiadiazol-2-amine
OPENEYE Name: 5-chloro-1,3,4-thiadiazol-2-amine
IUPAC Name: 5-chloro-1,3,4-thiadiazol-2-amine
SYSTEMATIC NAME: 5-chloranyl-1,3,4-thiadiazol-2-amine
MOLECULAR FORMULA: C2H2ClN3S
MOLECULAR WEIGHT: 135.57538
SMILES: C1(=NN=C(S1)Cl)N
Structure:
CAS RN: 1690-30-8
CAS Name: 4-[[3-(4-ethoxycarbonylphenyl)imino-2,2,4,4-tetramethylcyclobutylidene]amino]benzoic acid ethyl ester
OPENEYE Name: ethyl 4-[[3-(4-ethoxycarbonylphenyl)imino-2,2,4,4-tetramethyl-cyclobutylidene]amino]benzoate
IUPAC Name: ethyl 4-[[3-(4-ethoxycarbonylphenyl)imino-2,2,4,4-tetramethylcyclobutylidene]amino]benzoate
SYSTEMATIC NAME: ethyl 4-[[3-(4-ethoxycarbonylphenyl)imino-2,2,4,4-tetramethyl-cyclobutylidene]amino]benzoate
MOLECULAR FORMULA: C26H30N2O4
MOLECULAR WEIGHT: 434.5274
SMILES: CCOC(=O)C1=CC=C(C=C1)N=C2C(C(=NC3=CC=C(C=C3)C(=O)OCC)C2(C)C)(C)C
Structure:
CAS RN: 41697-19-2
CAS Name: N'-benzoyl-2-hydroxybenzohydrazide
OPENEYE Name: N'-benzoyl-2-hydroxy-benzohydrazide
IUPAC Name: N'-benzoyl-2-hydroxybenzohydrazide
SYSTEMATIC NAME: 2-oxidanyl-N'-(phenylcarbonyl)benzohydrazide
MOLECULAR FORMULA: C14H12N2O3
MOLECULAR WEIGHT: 256.25668
SMILES: C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=CC=C2O
Structure:
CAS RN: 1220-95-7
CAS Name: 6-chloro-1,4-dihydroxyanthracene-9,10-dione
OPENEYE Name: 6-chloro-1,4-dihydroxy-anthracene-9,10-dione
IUPAC Name: 6-chloro-1,4-dihydroxyanthracene-9,10-dione
SYSTEMATIC NAME: 6-chloranyl-1,4-bis(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C14H7ClO4
MOLECULAR WEIGHT: 274.65598
SMILES: C1=CC2=C(C=C1Cl)C(=O)C3=C(C=CC(=C3C2=O)O)O
Structure:
CAS RN: 26595-27-7
CAS Name: 2,2-dimethylpropanedioic acid diphenyl ester
OPENEYE Name: diphenyl 2,2-dimethylpropanedioate
IUPAC Name: diphenyl 2,2-dimethylpropanedioate
SYSTEMATIC NAME: diphenyl 2,2-dimethylpropanedioate
MOLECULAR FORMULA: C17H16O4
MOLECULAR WEIGHT: 284.30654
SMILES: CC(C)(C(=O)OC1=CC=CC=C1)C(=O)OC2=CC=CC=C2
Structure:
CAS RN: 37602-96-3
CAS Name: diethoxy-(1-phenylethylthio)-sulfanylidenephosphorane
OPENEYE Name: diethoxy-(1-phenylethylsulfanyl)-thioxo-$l^{5}-phosphane
IUPAC Name: diethoxy-(1-phenylethylsulfanyl)-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: diethoxy-(1-phenylethylsulfanyl)-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C12H19O2PS2
MOLECULAR WEIGHT: 290.381821
SMILES: CCOP(=S)(OCC)SC(C)C1=CC=CC=C1
Structure:
CAS RN: 18221-20-0
CAS Name: [2-(dimethylamino)-4-(hydroxymethyl)-3,3-dimethylcyclobutyl]methanol
OPENEYE Name: [2-(dimethylamino)-4-(hydroxymethyl)-3,3-dimethyl-cyclobutyl]methanol
IUPAC Name: [2-(dimethylamino)-4-(hydroxymethyl)-3,3-dimethylcyclobutyl]methanol
SYSTEMATIC NAME: [2-(dimethylamino)-4-(hydroxymethyl)-3,3-dimethyl-cyclobutyl]methanol
MOLECULAR FORMULA: C10H21NO2
MOLECULAR WEIGHT: 187.27924
SMILES: CC1(C(C(C1N(C)C)CO)CO)C
Structure:
CAS RN: 950-58-3
CAS Name: 4-amino-2,6-ditert-butylphenol
OPENEYE Name: 4-amino-2,6-ditert-butyl-phenol
IUPAC Name: 4-amino-2,6-ditert-butylphenol
SYSTEMATIC NAME: 4-azanyl-2,6-ditert-butyl-phenol
MOLECULAR FORMULA: C14H23NO
MOLECULAR WEIGHT: 221.33852
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)N
Structure:
CAS RN: 5201-46-7
CAS Name: (phenylthio)formic acid ethyl ester
OPENEYE Name: ethyl phenylsulfanylformate
IUPAC Name: ethyl phenylsulfanylformate
SYSTEMATIC NAME: ethyl phenylsulfanylmethanoate
MOLECULAR FORMULA: C9H10O2S
MOLECULAR WEIGHT: 182.2395
SMILES: CCOC(=O)SC1=CC=CC=C1
Structure:
CAS RN: 78725-90-3
CAS Name: (phenylthio)formic acid ethyl ester
OPENEYE Name: ethyl phenylsulfanylformate
IUPAC Name: ethyl phenylsulfanylformate
SYSTEMATIC NAME: ethyl phenylsulfanylmethanoate
MOLECULAR FORMULA: C9H10O2S
MOLECULAR WEIGHT: 182.2395
SMILES: CCOC(=O)SC1=CC=CC=C1
Structure:
CAS RN: 25829-71-4
CAS Name: N-(1,3-benzothiazol-2-yl)-3-hydroxy-2-naphthalenecarboxamide
OPENEYE Name: N-(1,3-benzothiazol-2-yl)-3-hydroxy-naphthalene-2-carboxamide
IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-hydroxynaphthalene-2-carboxamide
SYSTEMATIC NAME: N-(1,3-benzothiazol-2-yl)-3-oxidanyl-naphthalene-2-carboxamide
MOLECULAR FORMULA: C18H12N2O2S
MOLECULAR WEIGHT: 320.36508
SMILES: C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=NC4=CC=CC=C4S3)O
Structure:
CAS RN: 24059-72-1
CAS Name: 1-(3-methylphenyl)-2-pyrrolidinone
OPENEYE Name: 1-(m-tolyl)pyrrolidin-2-one
IUPAC Name: 1-(3-methylphenyl)pyrrolidin-2-one
SYSTEMATIC NAME: 1-(3-methylphenyl)pyrrolidin-2-one
MOLECULAR FORMULA: C11H13NO
MOLECULAR WEIGHT: 175.22702
SMILES: CC1=CC(=CC=C1)N2CCCC2=O
Structure:
CAS RN: 51249-08-2
CAS Name: N-(3,5-dinitro-2-thiophenyl)acetamide
OPENEYE Name: N-(3,5-dinitro-2-thienyl)acetamide
IUPAC Name: N-(3,5-dinitrothiophen-2-yl)acetamide
SYSTEMATIC NAME: N-(3,5-dinitrothiophen-2-yl)ethanamide
MOLECULAR FORMULA: C6H5N3O5S
MOLECULAR WEIGHT: 231.186
SMILES: CC(=O)NC1=C(C=C(S1)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 2790-09-2
CAS Name: 4,6-dimethylbenzene-1,3-dicarboxylic acid
OPENEYE Name: 4,6-dimethylbenzene-1,3-dicarboxylic acid
IUPAC Name: 4,6-dimethylbenzene-1,3-dicarboxylic acid
SYSTEMATIC NAME: 4,6-dimethylbenzene-1,3-dicarboxylic acid
MOLECULAR FORMULA: C10H10O4
MOLECULAR WEIGHT: 194.184
SMILES: CC1=CC(=C(C=C1C(=O)O)C(=O)O)C
Structure:
CAS RN: 31089-22-2
CAS Name: 3-methyl-5-propan-2-yl-1-cyclopent-2-enone
OPENEYE Name: 5-isopropyl-3-methyl-cyclopent-2-en-1-one
IUPAC Name: 3-methyl-5-propan-2-ylcyclopent-2-en-1-one
SYSTEMATIC NAME: 3-methyl-5-propan-2-yl-cyclopent-2-en-1-one
MOLECULAR FORMULA: C9H14O
MOLECULAR WEIGHT: 138.20686
SMILES: CC1=CC(=O)C(C1)C(C)C
Structure:
CAS RN: 19574-02-8
CAS Name: 4-(dimethylamino)-3,3-dimethylcyclobutane-1,2-dicarboxylic acid diethyl ester
OPENEYE Name: diethyl 4-(dimethylamino)-3,3-dimethyl-cyclobutane-1,2-dicarboxylate
IUPAC Name: diethyl 4-(dimethylamino)-3,3-dimethylcyclobutane-1,2-dicarboxylate
SYSTEMATIC NAME: diethyl 4-(dimethylamino)-3,3-dimethyl-cyclobutane-1,2-dicarboxylate
MOLECULAR FORMULA: C14H25NO4
MOLECULAR WEIGHT: 271.3526
SMILES: CCOC(=O)C1C(C(C1N(C)C)(C)C)C(=O)OCC
Structure:
CAS RN: 77697-45-1
CAS Name: 4-bicyclo[3.1.1]hept-2-enol
OPENEYE Name: bicyclo[3.1.1]hept-2-en-4-ol
IUPAC Name: bicyclo[3.1.1]hept-2-en-4-ol
SYSTEMATIC NAME: bicyclo[3.1.1]hept-2-en-4-ol
MOLECULAR FORMULA: C7H10O
MOLECULAR WEIGHT: 110.1537
SMILES: C1C2CC1C(C=C2)O
Structure:
CAS RN: 355-66-8
CAS Name: 2,2,3,3,4,4,5,5-octafluorohexanediamide
OPENEYE Name: 2,2,3,3,4,4,5,5-octafluorohexanediamide
IUPAC Name: 2,2,3,3,4,4,5,5-octafluorohexanediamide
SYSTEMATIC NAME: 2,2,3,3,4,4,5,5-octakis(fluoranyl)hexanediamide
MOLECULAR FORMULA: C6H4F8N2O2
MOLECULAR WEIGHT: 288.095386
SMILES: C(=O)(C(C(C(C(C(=O)N)(F)F)(F)F)(F)F)(F)F)N
Structure:
CAS RN: 33682-68-7
CAS Name: 3-(4-chlorophenyl)-4-methyl-2-thiazolethione
OPENEYE Name: 3-(4-chlorophenyl)-4-methyl-thiazole-2-thione
IUPAC Name: 3-(4-chlorophenyl)-4-methyl-1,3-thiazole-2-thione
SYSTEMATIC NAME: 3-(4-chlorophenyl)-4-methyl-1,3-thiazole-2-thione
MOLECULAR FORMULA: C10H8ClNS2
MOLECULAR WEIGHT: 241.76022
SMILES: CC1=CSC(=S)N1C2=CC=C(C=C2)Cl
Structure:
CAS RN: 98022-43-6
CAS Name: 3-methoxy-1,2,4-thiadiazol-5-amine
OPENEYE Name: 3-methoxy-1,2,4-thiadiazol-5-amine
IUPAC Name: 3-methoxy-1,2,4-thiadiazol-5-amine
SYSTEMATIC NAME: 3-methoxy-1,2,4-thiadiazol-5-amine
MOLECULAR FORMULA: C3H5N3OS
MOLECULAR WEIGHT: 131.1563
SMILES: COC1=NSC(=N1)N
Structure:
CAS RN: 86199-46-4
CAS Name: 1,3-bis(2-cyanopropan-2-yl)urea
OPENEYE Name: 1,3-bis(1-cyano-1-methyl-ethyl)urea
IUPAC Name: 1,3-bis(2-cyanopropan-2-yl)urea
SYSTEMATIC NAME: 1,3-bis(2-cyanopropan-2-yl)urea
MOLECULAR FORMULA: C9H14N4O
MOLECULAR WEIGHT: 194.23366
SMILES: CC(C)(C#N)NC(=O)NC(C)(C)C#N
Structure:
CAS RN: 24445-28-1
CAS Name: 3-hydroxy-N-(2-thiazolyl)-2-naphthalenecarboxamide
OPENEYE Name: 3-hydroxy-N-thiazol-2-yl-naphthalene-2-carboxamide
IUPAC Name: 3-hydroxy-N-(1,3-thiazol-2-yl)naphthalene-2-carboxamide
SYSTEMATIC NAME: 3-oxidanyl-N-(1,3-thiazol-2-yl)naphthalene-2-carboxamide
MOLECULAR FORMULA: C14H10N2O2S
MOLECULAR WEIGHT: 270.3064
SMILES: C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=NC=CS3)O
Structure:
CAS RN: 27825-74-7
CAS Name: 2-[bis[2-[bis(cyanomethyl)amino]ethyl]amino]acetonitrile
OPENEYE Name: 2-[bis[2-[bis(cyanomethyl)amino]ethyl]amino]acetonitrile
IUPAC Name: 2-[bis[2-[bis(cyanomethyl)amino]ethyl]amino]acetonitrile
SYSTEMATIC NAME: 2-[bis[2-[bis(cyanomethyl)amino]ethyl]amino]ethanenitrile
MOLECULAR FORMULA: C14H18N8
MOLECULAR WEIGHT: 298.34632
SMILES: C(CN(CC#N)CC#N)N(CCN(CC#N)CC#N)CC#N
Structure:
CAS RN: 35225-28-6
CAS Name: 2-(2-anilinoethylthio)ethanethiol
OPENEYE Name: 2-(2-anilinoethylsulfanyl)ethanethiol
IUPAC Name: 2-(2-anilinoethylsulfanyl)ethanethiol
SYSTEMATIC NAME: 2-(2-phenylazanylethylsulfanyl)ethanethiol
MOLECULAR FORMULA: C10H15NS2
MOLECULAR WEIGHT: 213.3628
SMILES: C1=CC=C(C=C1)NCCSCCS
Structure:
CAS RN: 41697-22-7
CAS Name: 2,4-dichloro-N'-[(2-hydroxyphenyl)-oxomethyl]benzohydrazide
OPENEYE Name: 2,4-dichloro-N'-(2-hydroxybenzoyl)benzohydrazide
IUPAC Name: 2,4-dichloro-N'-(2-hydroxybenzoyl)benzohydrazide
SYSTEMATIC NAME: 2,4-bis(chloranyl)-N'-(2-hydroxyphenyl)carbonyl-benzohydrazide
MOLECULAR FORMULA: C14H10Cl2N2O3
MOLECULAR WEIGHT: 325.1468
SMILES: C1=CC=C(C(=C1)C(=O)NNC(=O)C2=C(C=C(C=C2)Cl)Cl)O
Structure:
CAS RN: 7505-11-5
CAS Name: 2,3-bis(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-methoxyphenyl)-3-phenyl-1-propanone
OPENEYE Name: 2,3-bis(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-methoxyphenyl)-3-phenyl-propan-1-one
IUPAC Name: 2,3-bis(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-methoxyphenyl)-3-phenylpropan-1-one
SYSTEMATIC NAME: 2,3-bis(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-methoxyphenyl)-3-phenyl-propan-1-one
MOLECULAR FORMULA: C34H34N2O2
MOLECULAR WEIGHT: 502.64596
SMILES: COC1=CC=C(C=C1)C(=O)C(C(C2=CC=CC=C2)N3CCC4=CC=CC=C4C3)N5CCC6=CC=CC=C6C5
Structure:
CAS RN: 86273-74-7
CAS Name: 2-[N-(cyanomethyl)anilino]acetonitrile
OPENEYE Name: 2-[N-(cyanomethyl)anilino]acetonitrile
IUPAC Name: 2-[N-(cyanomethyl)anilino]acetonitrile
SYSTEMATIC NAME: 2-[cyanomethyl(phenyl)amino]ethanenitrile
MOLECULAR FORMULA: C10H9N3
MOLECULAR WEIGHT: 171.19856
SMILES: C1=CC=C(C=C1)N(CC#N)CC#N
Structure:
CAS RN: 5413-09-2
CAS Name: 3-methoxyhexanoic acid
OPENEYE Name: 3-methoxyhexanoic acid
IUPAC Name: 3-methoxyhexanoic acid
SYSTEMATIC NAME: 3-methoxyhexanoic acid
MOLECULAR FORMULA: C7H14O3
MOLECULAR WEIGHT: 146.18426
SMILES: CCCC(CC(=O)O)OC
Structure:
CAS RN: 68375-44-0
CAS Name: 4-amino-N,5-dimethyl-1H-pyrazole-3-carboxamide
OPENEYE Name: 4-amino-N,5-dimethyl-1H-pyrazole-3-carboxamide
IUPAC Name: 4-amino-N,5-dimethyl-1H-pyrazole-3-carboxamide
SYSTEMATIC NAME: 4-azanyl-N,5-dimethyl-1H-pyrazole-3-carboxamide
MOLECULAR FORMULA: C6H10N4O
MOLECULAR WEIGHT: 154.1698
SMILES: CC1=C(C(=NN1)C(=O)NC)N
Structure:
CAS RN: 30040-80-3
CAS Name: acetic acid [17-(7-acetamido-6-methyl-3-oxoheptan-2-yl)-16-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [17-(6-acetamido-1,5-dimethyl-2-oxo-hexyl)-16-acetoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [17-(7-acetamido-6-methyl-3-oxoheptan-2-yl)-16-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [17-(7-acetamido-6-methyl-3-oxidanylidene-heptan-2-yl)-16-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C33H51NO6
MOLECULAR WEIGHT: 557.76114
SMILES: CC(CCC(=O)C(C)C1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C)OC(=O)C)CNC(=O)C
Structure:
CAS RN: 69470-36-6
CAS Name: 2-chloro-9,10-diphenylanthracene-9,10-diol
OPENEYE Name: 2-chloro-9,10-diphenyl-anthracene-9,10-diol
IUPAC Name: 2-chloro-9,10-diphenylanthracene-9,10-diol
SYSTEMATIC NAME: 2-chloranyl-9,10-diphenyl-anthracene-9,10-diol
MOLECULAR FORMULA: C26H19ClO2
MOLECULAR WEIGHT: 398.88086
SMILES: C1=CC=C(C=C1)C2(C3=C(C=C(C=C3)Cl)C(C4=CC=CC=C42)(C5=CC=CC=C5)O)O
Structure:
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