Tuesday, November 27, 2012

http://ChemLookup.com Compounds




CAS RN: 42850-82-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H8S3
MOLECULAR WEIGHT: 224.36552
SMILES: C1C2=CSC=C2C3=CSC=C3CS1
Structure:

CAS RN: 42842-99-9
CAS Name: 3-tert-butyl-2-methyl-2,3-diazabicyclo[2.2.1]heptane
OPENEYE Name: 3-tert-butyl-2-methyl-2,3-diazabicyclo[2.2.1]heptane
IUPAC Name: 3-tert-butyl-2-methyl-2,3-diazabicyclo[2.2.1]heptane
SYSTEMATIC NAME: 3-tert-butyl-2-methyl-2,3-diazabicyclo[2.2.1]heptane
MOLECULAR FORMULA: C10H20N2
MOLECULAR WEIGHT: 168.2792
SMILES: CC(C)(C)N1C2CCC(C2)N1C
Structure:

CAS RN: 42837-65-0
CAS Name: 5-benzoyl-1,2,4-oxadiazol-3-one
OPENEYE Name: 5-benzoyl-1,2,4-oxadiazol-3-one
IUPAC Name: 5-benzoyl-1,2,4-oxadiazol-3-one
SYSTEMATIC NAME: 5-(phenylcarbonyl)-1,2,4-oxadiazol-3-one
MOLECULAR FORMULA: C9H6N2O3
MOLECULAR WEIGHT: 190.15554
SMILES: C1=CC=C(C=C1)C(=O)C2=NC(=O)NO2
Structure:

CAS RN: 42829-14-1
CAS Name: 2,3,3-trichlorothiolane 1,1-dioxide
OPENEYE Name: 2,3,3-trichlorothiolane 1,1-dioxide
IUPAC Name: 2,3,3-trichlorothiolane 1,1-dioxide
SYSTEMATIC NAME: 2,3,3-tris(chloranyl)thiolane 1,1-dioxide
MOLECULAR FORMULA: C4H5Cl3O2S
MOLECULAR WEIGHT: 223.5053
SMILES: C1CS(=O)(=O)C(C1(Cl)Cl)Cl
Structure:

CAS RN: 42810-33-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H9NO2
MOLECULAR WEIGHT: 187.19466
SMILES: C1C2C=CC1C3=C2C=CC(=C3)[N+](=O)[O-]
Structure:

CAS RN: 42797-36-4
CAS Name: 3,3-bis[(4-methylphenyl)thio]-1-isobenzofuranone
OPENEYE Name: 3,3-bis(p-tolylsulfanyl)isobenzofuran-1-one
IUPAC Name: 3,3-bis[(4-methylphenyl)sulfanyl]-2-benzofuran-1-one
SYSTEMATIC NAME: 3,3-bis[(4-methylphenyl)sulfanyl]-2-benzofuran-1-one
MOLECULAR FORMULA: C22H18O2S2
MOLECULAR WEIGHT: 378.50712
SMILES: CC1=CC=C(C=C1)SC2(C3=CC=CC=C3C(=O)O2)SC4=CC=C(C=C4)C
Structure:

CAS RN: 42797-34-2
CAS Name: benzene-1,2-dicarbothioic acid S1,S2-bis(4-methylphenyl) ester
OPENEYE Name: S1,S2-bis(p-tolyl) benzene-1,2-dicarbothioate
IUPAC Name: 1-S,2-S-bis(4-methylphenyl) benzene-1,2-dicarbothioate
SYSTEMATIC NAME: S1,S2-bis(4-methylphenyl) benzene-1,2-dicarbothioate
MOLECULAR FORMULA: C22H18O2S2
MOLECULAR WEIGHT: 378.50712
SMILES: CC1=CC=C(C=C1)SC(=O)C2=CC=CC=C2C(=O)SC3=CC=C(C=C3)C
Structure:

CAS RN: 42797-33-1
CAS Name: benzene-1,2-dicarbothioic acid S1,S2-diphenyl ester
OPENEYE Name: S1,S2-diphenyl benzene-1,2-dicarbothioate
IUPAC Name: 1-S,2-S-diphenyl benzene-1,2-dicarbothioate
SYSTEMATIC NAME: S1,S2-diphenyl benzene-1,2-dicarbothioate
MOLECULAR FORMULA: C20H14O2S2
MOLECULAR WEIGHT: 350.45396
SMILES: C1=CC=C(C=C1)SC(=O)C2=CC=CC=C2C(=O)SC3=CC=CC=C3
Structure:

CAS RN: 42797-32-0
CAS Name: 2-[[(4-methylphenyl)thio]-oxomethyl]benzoic acid methyl ester
OPENEYE Name: methyl 2-(p-tolylsulfanylcarbonyl)benzoate
IUPAC Name: methyl 2-(4-methylphenyl)sulfanylcarbonylbenzoate
SYSTEMATIC NAME: methyl 2-(4-methylphenyl)sulfanylcarbonylbenzoate
MOLECULAR FORMULA: C16H14O3S
MOLECULAR WEIGHT: 286.34556
SMILES: CC1=CC=C(C=C1)SC(=O)C2=CC=CC=C2C(=O)OC
Structure:

CAS RN: 42786-06-1
CAS Name: 4-ethyl-1,2,4-triazol-3-amine
OPENEYE Name: 4-ethyl-1,2,4-triazol-3-amine
IUPAC Name: 4-ethyl-1,2,4-triazol-3-amine
SYSTEMATIC NAME: 4-ethyl-1,2,4-triazol-3-amine
MOLECULAR FORMULA: C4H8N4
MOLECULAR WEIGHT: 112.13312
SMILES: CCN1C=NN=C1N
Structure:

CAS RN: 42786-04-9
CAS Name: 1-ethyl-1,2,4-triazol-3-amine
OPENEYE Name: 1-ethyl-1,2,4-triazol-3-amine
IUPAC Name: 1-ethyl-1,2,4-triazol-3-amine
SYSTEMATIC NAME: 1-ethyl-1,2,4-triazol-3-amine
MOLECULAR FORMULA: C4H8N4
MOLECULAR WEIGHT: 112.13312
SMILES: CCN1C=NC(=N1)N
Structure:

CAS RN: 42715-30-0
CAS Name: acetic acid [2-(methylthio)-3-pyridinyl] ester
OPENEYE Name: (2-methylsulfanyl-3-pyridyl) acetate
IUPAC Name: (2-methylsulfanylpyridin-3-yl) acetate
SYSTEMATIC NAME: (2-methylsulfanylpyridin-3-yl) ethanoate
MOLECULAR FORMULA: C8H9NO2S
MOLECULAR WEIGHT: 183.22756
SMILES: CC(=O)OC1=C(N=CC=C1)SC
Structure:

CAS RN: 42715-25-3
CAS Name: 3-thiazolo[3,2-a]pyridin-4-iumolate
OPENEYE Name: thiazolo[3,2-a]pyridin-4-ium-3-olate
IUPAC Name: [1,3]thiazolo[3,2-a]pyridin-4-ium-3-olate
SYSTEMATIC NAME: [1,3]thiazolo[3,2-a]pyridin-4-ium-3-olate
MOLECULAR FORMULA: C7H5NOS
MOLECULAR WEIGHT: 151.1857
SMILES: C1=CC=[N+]2C(=C1)SC=C2[O-]
Structure:

CAS RN: 42607-64-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H16
MOLECULAR WEIGHT: 172.26614
SMILES: CC1C2C3CC4C2C(=C)C5C1C3C45
Structure:

CAS RN: 42607-62-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H14
MOLECULAR WEIGHT: 170.25026
SMILES: C=C1C2C3CC4C2C(=C)C5C4C3C51
Structure:

CAS RN: 42525-65-5
CAS Name: 1-(2-phenylethyl)azetidine
OPENEYE Name: 1-(2-phenylethyl)azetidine
IUPAC Name: 1-(2-phenylethyl)azetidine
SYSTEMATIC NAME: 1-(2-phenylethyl)azetidine
MOLECULAR FORMULA: C11H15N
MOLECULAR WEIGHT: 161.2435
SMILES: C1CN(C1)CCC2=CC=CC=C2
Structure:

CAS RN: 42506-61-6
CAS Name: 4-(2,6-dimethyl-4-thiopyranylidene)-2,6-dimethylthiopyran
OPENEYE Name: 4-(2,6-dimethylthiopyran-4-ylidene)-2,6-dimethyl-thiopyran
IUPAC Name: 4-(2,6-dimethylthiopyran-4-ylidene)-2,6-dimethylthiopyran
SYSTEMATIC NAME: 4-(2,6-dimethylthiopyran-4-ylidene)-2,6-dimethyl-thiopyran
MOLECULAR FORMULA: C14H16S2
MOLECULAR WEIGHT: 248.40684
SMILES: CC1=CC(=C2C=C(SC(=C2)C)C)C=C(S1)C
Structure:

CAS RN: 42506-60-5
CAS Name: 4-(2,6-diphenyl-4-thiopyranylidene)-2,6-diphenylthiopyran
OPENEYE Name: 4-(2,6-diphenylthiopyran-4-ylidene)-2,6-diphenyl-thiopyran
IUPAC Name: 4-(2,6-diphenylthiopyran-4-ylidene)-2,6-diphenylthiopyran
SYSTEMATIC NAME: 4-(2,6-diphenylthiopyran-4-ylidene)-2,6-diphenyl-thiopyran
MOLECULAR FORMULA: C34H24S2
MOLECULAR WEIGHT: 496.68436
SMILES: C1=CC=C(C=C1)C2=CC(=C3C=C(SC(=C3)C4=CC=CC=C4)C5=CC=CC=C5)C=C(S2)C6=CC=CC=C6
Structure:

CAS RN: 42506-58-1
CAS Name: 4-(2,6-dimethyl-4-pyranylidene)-2,6-dimethylpyran
OPENEYE Name: 4-(2,6-dimethylpyran-4-ylidene)-2,6-dimethyl-pyran
IUPAC Name: 4-(2,6-dimethylpyran-4-ylidene)-2,6-dimethylpyran
SYSTEMATIC NAME: 4-(2,6-dimethylpyran-4-ylidene)-2,6-dimethyl-pyran
MOLECULAR FORMULA: C14H16O2
MOLECULAR WEIGHT: 216.27564
SMILES: CC1=CC(=C2C=C(OC(=C2)C)C)C=C(O1)C
Structure:

CAS RN: 42506-57-0
CAS Name: 4-(2,6-diphenyl-4-pyranylidene)-2,6-diphenylpyran
OPENEYE Name: 4-(2,6-diphenylpyran-4-ylidene)-2,6-diphenyl-pyran
IUPAC Name: 4-(2,6-diphenylpyran-4-ylidene)-2,6-diphenylpyran
SYSTEMATIC NAME: 4-(2,6-diphenylpyran-4-ylidene)-2,6-diphenyl-pyran
MOLECULAR FORMULA: C34H24O2
MOLECULAR WEIGHT: 464.55316
SMILES: C1=CC=C(C=C1)C2=CC(=C3C=C(OC(=C3)C4=CC=CC=C4)C5=CC=CC=C5)C=C(O2)C6=CC=CC=C6
Structure:

CAS RN: 42474-60-2
CAS Name: 2-methyl-1,3-benzothiazole-6-carbonitrile
OPENEYE Name: 2-methyl-1,3-benzothiazole-6-carbonitrile
IUPAC Name: 2-methyl-1,3-benzothiazole-6-carbonitrile
SYSTEMATIC NAME: 2-methyl-1,3-benzothiazole-6-carbonitrile
MOLECULAR FORMULA: C9H6N2S
MOLECULAR WEIGHT: 174.22234
SMILES: CC1=NC2=C(S1)C=C(C=C2)C#N
Structure:

CAS RN: 42474-21-5
CAS Name: 1,2-dibromoheptane
OPENEYE Name: 1,2-dibromoheptane
IUPAC Name: 1,2-dibromoheptane
SYSTEMATIC NAME: 1,2-bis(bromanyl)heptane
MOLECULAR FORMULA: C7H14Br2
MOLECULAR WEIGHT: 257.99406
SMILES: CCCCCC(CBr)Br
Structure:

CAS RN: 42474-20-4
CAS Name: 1,3-dibromopentane
OPENEYE Name: 1,3-dibromopentane
IUPAC Name: 1,3-dibromopentane
SYSTEMATIC NAME: 1,3-bis(bromanyl)pentane
MOLECULAR FORMULA: C5H10Br2
MOLECULAR WEIGHT: 229.9409
SMILES: CCC(CCBr)Br
Structure:

CAS RN: 42447-90-5
CAS Name: acetic acid 2-(3H-inden-1-yl)propan-2-yl ester
OPENEYE Name: [1-(3H-inden-1-yl)-1-methyl-ethyl] acetate
IUPAC Name: 2-(3H-inden-1-yl)propan-2-yl acetate
SYSTEMATIC NAME: 2-(3H-inden-1-yl)propan-2-yl ethanoate
MOLECULAR FORMULA: C14H16O2
MOLECULAR WEIGHT: 216.27564
SMILES: CC(=O)OC(C)(C)C1=CCC2=CC=CC=C21
Structure:

CAS RN: 42437-75-2
CAS Name: trimethyl(methylimino)phosphorane
OPENEYE Name: trimethyl(methylimino)-$l^{5}-phosphane
IUPAC Name: trimethyl(methylimino)-$l^{5}-phosphane
SYSTEMATIC NAME: trimethyl(methylimino)-$l^{5}-phosphane
MOLECULAR FORMULA: C4H12NP
MOLECULAR WEIGHT: 105.118541
SMILES: CN=P(C)(C)C
Structure:

CAS RN: 42426-07-3
CAS Name: 2-(2-methylhexan-2-yloxymethyl)oxirane
OPENEYE Name: 2-(1,1-dimethylpentoxymethyl)oxirane
IUPAC Name: 2-(2-methylhexan-2-yloxymethyl)oxirane
SYSTEMATIC NAME: 2-(2-methylhexan-2-yloxymethyl)oxirane
MOLECULAR FORMULA: C10H20O2
MOLECULAR WEIGHT: 172.2646
SMILES: CCCCC(C)(C)OCC1CO1
Structure:

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