Monday, April 30, 2012

http://ChemLookup.com Compounds




CAS RN: 85187-51-5
CAS Name: (4E)-4-[(2-methoxyphenyl)methylidene]-2-phenyl-5-oxazolone
OPENEYE Name: (4E)-4-[(2-methoxyphenyl)methylene]-2-phenyl-oxazol-5-one
IUPAC Name: (4E)-4-[(2-methoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
SYSTEMATIC NAME: (4E)-4-[(2-methoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
MOLECULAR FORMULA: C17H13NO3
MOLECULAR WEIGHT: 279.29002
SMILES: COC1=CC=CC=C1/C=C/2\C(=O)OC(=N2)C3=CC=CC=C3
Structure:

CAS RN: 22876-19-3
CAS Name: 5-chloro-3H-1,3-benzoxazole-2-thione
OPENEYE Name: 5-chloro-3H-1,3-benzoxazole-2-thione
IUPAC Name: 5-chloro-3H-1,3-benzoxazole-2-thione
SYSTEMATIC NAME: 5-chloranyl-3H-1,3-benzoxazole-2-thione
MOLECULAR FORMULA: C7H4ClNOS
MOLECULAR WEIGHT: 185.63076
SMILES: C1=CC2=C(C=C1Cl)NC(=S)O2
Structure:

CAS RN: 15686-83-6
CAS Name: 1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine
OPENEYE Name: 1-methyl-2-[(E)-2-(2-thienyl)vinyl]-5,6-dihydro-4H-pyrimidine
IUPAC Name: 1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine
SYSTEMATIC NAME: 1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine
MOLECULAR FORMULA: C11H14N2S
MOLECULAR WEIGHT: 206.30726
SMILES: CN1CCCN=C1/C=C/C2=CC=CS2
Structure:

CAS RN: 5385-61-5
CAS Name: 1-(3-bromophenyl)pyrrole-2,5-dione
OPENEYE Name: 1-(3-bromophenyl)pyrrole-2,5-dione
IUPAC Name: 1-(3-bromophenyl)pyrrole-2,5-dione
SYSTEMATIC NAME: 1-(3-bromophenyl)pyrrole-2,5-dione
MOLECULAR FORMULA: C10H6BrNO2
MOLECULAR WEIGHT: 252.06414
SMILES: C1=CC(=CC(=C1)Br)N2C(=O)C=CC2=O
Structure:

CAS RN: 105931-86-0
CAS Name: 1-acetyl-5-(phenylmethyl)-2,3-dihydro-1,5-benzodiazepin-4-one
OPENEYE Name: 1-acetyl-5-benzyl-2,3-dihydro-1,5-benzodiazepin-4-one
IUPAC Name: 1-acetyl-5-benzyl-2,3-dihydro-1,5-benzodiazepin-4-one
SYSTEMATIC NAME: 1-ethanoyl-5-(phenylmethyl)-2,3-dihydro-1,5-benzodiazepin-4-one
MOLECULAR FORMULA: C18H18N2O2
MOLECULAR WEIGHT: 294.34772
SMILES: CC(=O)N1CCC(=O)N(C2=CC=CC=C21)CC3=CC=CC=C3
Structure:

CAS RN: 331761-46-7
CAS Name: 4-chloro-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine
OPENEYE Name: 4-chloro-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine
IUPAC Name: 4-chloro-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine
SYSTEMATIC NAME: 4-chloranyl-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine
MOLECULAR FORMULA: C12H6Cl2N2S
MOLECULAR WEIGHT: 281.16044
SMILES: C1=CC(=CC=C1C2=CSC3=C2C(=NC=N3)Cl)Cl
Structure:

CAS RN: 35970-79-7
CAS Name: 4-chloro-6-phenylthieno[2,3-d]pyrimidine
OPENEYE Name: 4-chloro-6-phenyl-thieno[2,3-d]pyrimidine
IUPAC Name: 4-chloro-6-phenylthieno[2,3-d]pyrimidine
SYSTEMATIC NAME: 4-chloranyl-6-phenyl-thieno[2,3-d]pyrimidine
MOLECULAR FORMULA: C12H7ClN2S
MOLECULAR WEIGHT: 246.71538
SMILES: C1=CC=C(C=C1)C2=CC3=C(S2)N=CN=C3Cl
Structure:

CAS RN: 182198-35-2
CAS Name: 4-chloro-5-phenylthieno[2,3-d]pyrimidine
OPENEYE Name: 4-chloro-5-phenyl-thieno[2,3-d]pyrimidine
IUPAC Name: 4-chloro-5-phenylthieno[2,3-d]pyrimidine
SYSTEMATIC NAME: 4-chloranyl-5-phenyl-thieno[2,3-d]pyrimidine
MOLECULAR FORMULA: C12H7ClN2S
MOLECULAR WEIGHT: 246.71538
SMILES: C1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)Cl
Structure:

CAS RN: 350997-18-1
CAS Name: 2-amino-4-(1-naphthalenyl)-3-thiophenecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-amino-4-(1-naphthyl)thiophene-3-carboxylate
IUPAC Name: ethyl 2-amino-4-naphthalen-1-ylthiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-azanyl-4-naphthalen-1-yl-thiophene-3-carboxylate
MOLECULAR FORMULA: C17H15NO2S
MOLECULAR WEIGHT: 297.3715
SMILES: CCOC(=O)C1=C(SC=C1C2=CC=CC3=CC=CC=C32)N
Structure:

CAS RN: 103755-58-4
CAS Name: (1-phenyl-4-triazolyl)methanol
OPENEYE Name: (1-phenyltriazol-4-yl)methanol
IUPAC Name: (1-phenyltriazol-4-yl)methanol
SYSTEMATIC NAME: (1-phenyl-1,2,3-triazol-4-yl)methanol
MOLECULAR FORMULA: C9H9N3O
MOLECULAR WEIGHT: 175.18726
SMILES: C1=CC=C(C=C1)N2C=C(N=N2)CO
Structure:

CAS RN: 58123-77-6
CAS Name: (E)-3-(4-chlorophenyl)-2-mercapto-2-propenoic acid
OPENEYE Name: (E)-3-(4-chlorophenyl)-2-sulfanyl-prop-2-enoic acid
IUPAC Name: (E)-3-(4-chlorophenyl)-2-sulfanylprop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(4-chlorophenyl)-2-sulfanyl-prop-2-enoic acid
MOLECULAR FORMULA: C9H7ClO2S
MOLECULAR WEIGHT: 214.66868
SMILES: C1=CC(=CC=C1/C=C(\C(=O)O)/S)Cl
Structure:

CAS RN: 52779-56-3
CAS Name: 5-(3-methylanilino)-3H-1,3,4-thiadiazole-2-thione
OPENEYE Name: 5-(3-methylanilino)-3H-1,3,4-thiadiazole-2-thione
IUPAC Name: 5-(3-methylanilino)-3H-1,3,4-thiadiazole-2-thione
SYSTEMATIC NAME: 5-[(3-methylphenyl)amino]-3H-1,3,4-thiadiazole-2-thione
MOLECULAR FORMULA: C9H9N3S2
MOLECULAR WEIGHT: 223.31786
SMILES: CC1=CC(=CC=C1)NC2=NNC(=S)S2
Structure:

CAS RN: 86738-35-4
CAS Name: (E)-4-(2,5-dimethoxyphenyl)-4-oxo-2-butenoic acid
OPENEYE Name: (E)-4-(2,5-dimethoxyphenyl)-4-oxo-but-2-enoic acid
IUPAC Name: (E)-4-(2,5-dimethoxyphenyl)-4-oxobut-2-enoic acid
SYSTEMATIC NAME: (E)-4-(2,5-dimethoxyphenyl)-4-oxidanylidene-but-2-enoic acid
MOLECULAR FORMULA: C12H12O5
MOLECULAR WEIGHT: 236.22068
SMILES: COC1=CC(=C(C=C1)OC)C(=O)/C=C/C(=O)O
Structure:

CAS RN: 53629-19-9
CAS Name: 1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
OPENEYE Name: 1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
IUPAC Name: 1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
SYSTEMATIC NAME: 1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
MOLECULAR FORMULA: C11H6F3NO2
MOLECULAR WEIGHT: 241.16605
SMILES: C1=CC(=CC(=C1)N2C(=O)C=CC2=O)C(F)(F)F
Structure:

CAS RN: 4921-86-2
CAS Name: N-[(2-pyridinylamino)-sulfanylidenemethyl]benzamide
OPENEYE Name: N-(2-pyridylcarbamothioyl)benzamide
IUPAC Name: N-(pyridin-2-ylcarbamothioyl)benzamide
SYSTEMATIC NAME: N-(pyridin-2-ylcarbamothioyl)benzamide
MOLECULAR FORMULA: C13H11N3OS
MOLECULAR WEIGHT: 257.31094
SMILES: C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=N2
Structure:

CAS RN: 53068-24-9
CAS Name: 1-amino-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea
OPENEYE Name: 1-amino-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea
IUPAC Name: 1-amino-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea
SYSTEMATIC NAME: 1-azanyl-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea
MOLECULAR FORMULA: C11H17N3O2S
MOLECULAR WEIGHT: 255.33658
SMILES: COC1=C(C=C(C=C1)CCNC(=S)NN)OC
Structure:

CAS RN: 25343-30-0
CAS Name: (2,6-diethylphenyl)thiourea
OPENEYE Name: (2,6-diethylphenyl)thiourea
IUPAC Name: (2,6-diethylphenyl)thiourea
SYSTEMATIC NAME: 1-(2,6-diethylphenyl)thiourea
MOLECULAR FORMULA: C11H16N2S
MOLECULAR WEIGHT: 208.32314
SMILES: CCC1=C(C(=CC=C1)CC)NC(=S)N
Structure:

CAS RN: 52187-32-3
CAS Name: N-[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]benzamide
OPENEYE Name: N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]benzamide
IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]benzamide
SYSTEMATIC NAME: N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]benzamide
MOLECULAR FORMULA: C18H20N2O3S
MOLECULAR WEIGHT: 344.428
SMILES: COC1=C(C=C(C=C1)CCNC(=S)NC(=O)C2=CC=CC=C2)OC
Structure:

CAS RN: 2741-13-1
CAS Name: 1,1-dimethyl-3-(4-methylphenyl)thiourea
OPENEYE Name: 1,1-dimethyl-3-(p-tolyl)thiourea
IUPAC Name: 1,1-dimethyl-3-(4-methylphenyl)thiourea
SYSTEMATIC NAME: 1,1-dimethyl-3-(4-methylphenyl)thiourea
MOLECULAR FORMULA: C10H14N2S
MOLECULAR WEIGHT: 194.29656
SMILES: CC1=CC=C(C=C1)NC(=S)N(C)C
Structure:

CAS RN: 27574-80-7
CAS Name: 1,1-dimethyl-3-(4-methylphenyl)thiourea
OPENEYE Name: 1,1-dimethyl-3-(p-tolyl)thiourea
IUPAC Name: 1,1-dimethyl-3-(4-methylphenyl)thiourea
SYSTEMATIC NAME: 1,1-dimethyl-3-(4-methylphenyl)thiourea
MOLECULAR FORMULA: C10H14N2S
MOLECULAR WEIGHT: 194.29656
SMILES: CC1=CC=C(C=C1)NC(=S)N(C)C
Structure:

CAS RN: 705-62-4
CAS Name: 1,1-dimethyl-3-phenylthiourea
OPENEYE Name: 1,1-dimethyl-3-phenyl-thiourea
IUPAC Name: 1,1-dimethyl-3-phenylthiourea
SYSTEMATIC NAME: 1,1-dimethyl-3-phenyl-thiourea
MOLECULAR FORMULA: C9H12N2S
MOLECULAR WEIGHT: 180.26998
SMILES: CN(C)C(=S)NC1=CC=CC=C1
Structure:

CAS RN: 71172-37-7
CAS Name: 1,1-dimethyl-3-phenylthiourea
OPENEYE Name: 1,1-dimethyl-3-phenyl-thiourea
IUPAC Name: 1,1-dimethyl-3-phenylthiourea
SYSTEMATIC NAME: 1,1-dimethyl-3-phenyl-thiourea
MOLECULAR FORMULA: C9H12N2S
MOLECULAR WEIGHT: 180.26998
SMILES: CN(C)C(=S)NC1=CC=CC=C1
Structure:

CAS RN: 1991-52-2
CAS Name: 1-(3,4-dichlorophenyl)pyrrole-2,5-dione
OPENEYE Name: 1-(3,4-dichlorophenyl)pyrrole-2,5-dione
IUPAC Name: 1-(3,4-dichlorophenyl)pyrrole-2,5-dione
SYSTEMATIC NAME: 1-(3,4-dichlorophenyl)pyrrole-2,5-dione
MOLECULAR FORMULA: C10H5Cl2NO2
MOLECULAR WEIGHT: 242.0582
SMILES: C1=CC(=C(C=C1N2C(=O)C=CC2=O)Cl)Cl
Structure:

CAS RN: 436086-91-8
CAS Name: 3-[(3,5-dimethyl-1-pyrazolyl)methyl]-4-methoxybenzaldehyde
OPENEYE Name: 3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxy-benzaldehyde
IUPAC Name: 3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxybenzaldehyde
SYSTEMATIC NAME: 3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxy-benzaldehyde
MOLECULAR FORMULA: C14H16N2O2
MOLECULAR WEIGHT: 244.28904
SMILES: CC1=CC(=NN1CC2=C(C=CC(=C2)C=O)OC)C
Structure:

CAS RN: 2538-98-9
CAS Name: 3-methoxy-4-propan-2-yloxybenzaldehyde
OPENEYE Name: 4-isopropoxy-3-methoxy-benzaldehyde
IUPAC Name: 3-methoxy-4-propan-2-yloxybenzaldehyde
SYSTEMATIC NAME: 3-methoxy-4-propan-2-yloxy-benzaldehyde
MOLECULAR FORMULA: C11H14O3
MOLECULAR WEIGHT: 194.22706
SMILES: CC(C)OC1=C(C=C(C=C1)C=O)OC
Structure:

CAS RN: 4381-14-0
CAS Name: (3aR,7aR)-2-(4-chlorophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
OPENEYE Name: (3aR,7aR)-2-(4-chlorophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
IUPAC Name: (3aR,7aR)-2-(4-chlorophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
SYSTEMATIC NAME: (3aR,7aR)-2-(4-chlorophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
MOLECULAR FORMULA: C14H12ClNO2
MOLECULAR WEIGHT: 261.70358
SMILES: C1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)C3=CC=C(C=C3)Cl
Structure:

CAS RN: 4380-96-5
CAS Name: (3aS,7aS)-2-(4-chlorophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
OPENEYE Name: (3aS,7aS)-2-(4-chlorophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
IUPAC Name: (3aS,7aS)-2-(4-chlorophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
SYSTEMATIC NAME: (3aS,7aS)-2-(4-chlorophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
MOLECULAR FORMULA: C14H12ClNO2
MOLECULAR WEIGHT: 261.70358
SMILES: C1C=CC[C@H]2[C@H]1C(=O)N(C2=O)C3=CC=C(C=C3)Cl
Structure:

CAS RN: 58468-55-6
CAS Name: (E)-2-cyano-3-(3-methyl-2-thiophenyl)-2-propenamide
OPENEYE Name: (E)-2-cyano-3-(3-methyl-2-thienyl)prop-2-enamide
IUPAC Name: (E)-2-cyano-3-(3-methylthiophen-2-yl)prop-2-enamide
SYSTEMATIC NAME: (E)-2-cyano-3-(3-methylthiophen-2-yl)prop-2-enamide
MOLECULAR FORMULA: C9H8N2OS
MOLECULAR WEIGHT: 192.23762
SMILES: CC1=C(SC=C1)/C=C(\C#N)/C(=O)N
Structure:

CAS RN: 16498-81-0
CAS Name: 2-methoxy-3-pyridinecarboxylic acid
OPENEYE Name: 2-methoxypyridine-3-carboxylic acid
IUPAC Name: 2-methoxypyridine-3-carboxylic acid
SYSTEMATIC NAME: 2-methoxypyridine-3-carboxylic acid
MOLECULAR FORMULA: C7H7NO3
MOLECULAR WEIGHT: 153.13538
SMILES: COC1=C(C=CC=N1)C(=O)O
Structure:

CAS RN: 5227-04-3
CAS Name: 1-(5-bromo-2-thiophenyl)-N-(4-chloro-3-nitrophenyl)methanimine
OPENEYE Name: 1-(5-bromo-2-thienyl)-N-(4-chloro-3-nitro-phenyl)methanimine
IUPAC Name: 1-(5-bromothiophen-2-yl)-N-(4-chloro-3-nitrophenyl)methanimine
SYSTEMATIC NAME: 1-(5-bromanylthiophen-2-yl)-N-(4-chloranyl-3-nitro-phenyl)methanimine
MOLECULAR FORMULA: C11H6BrClN2O2S
MOLECULAR WEIGHT: 345.59954
SMILES: C1=CC(=C(C=C1N=CC2=CC=C(S2)Br)[N+](=O)[O-])Cl
Structure:

CAS RN: 42468-66-6
CAS Name: (E)-3-(6-chloro-4-oxo-1-benzopyran-3-yl)-2-propenoic acid
OPENEYE Name: (E)-3-(6-chloro-4-oxo-chromen-3-yl)prop-2-enoic acid
IUPAC Name: (E)-3-(6-chloro-4-oxochromen-3-yl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(6-chloranyl-4-oxidanylidene-chromen-3-yl)prop-2-enoic acid
MOLECULAR FORMULA: C12H7ClO4
MOLECULAR WEIGHT: 250.63458
SMILES: C1=CC2=C(C=C1Cl)C(=O)C(=CO2)/C=C/C(=O)O
Structure:

CAS RN: 51857-25-1
CAS Name: 2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]propanedinitrile
OPENEYE Name: 2-[(4,5-dimethoxy-2-nitro-phenyl)methylene]propanedinitrile
IUPAC Name: 2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]propanedinitrile
SYSTEMATIC NAME: 2-[(4,5-dimethoxy-2-nitro-phenyl)methylidene]propanedinitrile
MOLECULAR FORMULA: C12H9N3O4
MOLECULAR WEIGHT: 259.21756
SMILES: COC1=C(C=C(C(=C1)C=C(C#N)C#N)[N+](=O)[O-])OC
Structure:

CAS RN: 38937-66-5
CAS Name: 2-methylsulfonylthiophene
OPENEYE Name: 2-methylsulfonylthiophene
IUPAC Name: 2-methylsulfonylthiophene
SYSTEMATIC NAME: 2-methylsulfonylthiophene
MOLECULAR FORMULA: C5H6O2S2
MOLECULAR WEIGHT: 162.22994
SMILES: CS(=O)(=O)C1=CC=CS1
Structure:

CAS RN: 10551-15-2
CAS Name: 5-thiophen-2-yl-3H-1,3,4-oxadiazole-2-thione
OPENEYE Name: 5-(2-thienyl)-3H-1,3,4-oxadiazole-2-thione
IUPAC Name: 5-thiophen-2-yl-3H-1,3,4-oxadiazole-2-thione
SYSTEMATIC NAME: 5-thiophen-2-yl-3H-1,3,4-oxadiazole-2-thione
MOLECULAR FORMULA: C6H4N2OS2
MOLECULAR WEIGHT: 184.23876
SMILES: C1=CSC(=C1)C2=NNC(=S)O2
Structure:

CAS RN: 122772-20-7
CAS Name: 3-(3,4-dimethoxyphenyl)-4-ethyl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 3-(3,4-dimethoxyphenyl)-4-ethyl-1H-1,2,4-triazole-5-thione
IUPAC Name: 3-(3,4-dimethoxyphenyl)-4-ethyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-(3,4-dimethoxyphenyl)-4-ethyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C12H15N3O2S
MOLECULAR WEIGHT: 265.3314
SMILES: CCN1C(=NNC1=S)C2=CC(=C(C=C2)OC)OC
Structure:

CAS RN: 174573-92-3
CAS Name: 3-(3,4-dimethoxyphenyl)-4-methyl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 3-(3,4-dimethoxyphenyl)-4-methyl-1H-1,2,4-triazole-5-thione
IUPAC Name: 3-(3,4-dimethoxyphenyl)-4-methyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-(3,4-dimethoxyphenyl)-4-methyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C11H13N3O2S
MOLECULAR WEIGHT: 251.30482
SMILES: CN1C(=NNC1=S)C2=CC(=C(C=C2)OC)OC
Structure:

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