Wednesday, June 27, 2012

All Chemical Compounds Information




Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H3Br2NS2
MOLECULAR WEIGHT: 349.06482
SMILES: C1=CSC2=CN=C3C(=C21)C(=C(S3)Br)Br
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Product OPENEYE NAME: ethyl (2E)-2-[[2-(allyloxymethyl)phenyl]hydrazono]-2-chloro-acetate
CAS Name: (2E)-2-chloro-2-[[2-(prop-2-enoxymethyl)phenyl]hydrazinylidene]acetic acid ethyl ester
IUPAC NAME: ethyl (2E)-2-chloro-2-[[2-(prop-2-enoxymethyl)phenyl]hydrazinylidene]acetate
SYSTEMATIC NAME: ethyl (2E)-2-chloranyl-2-[[2-(prop-2-enoxymethyl)phenyl]hydrazinylidene]ethanoate
MOLECULAR FORMULA: C14H17ClN2O3
MOLECULAR WEIGHT: 296.74938
SMILES: CCOC(=O)/C(=N\NC1=CC=CC=C1COCC=C)/Cl
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Product OPENEYE NAME: ethyl (2E)-2-chloro-2-[[2-(2-methylallyloxymethyl)phenyl]hydrazono]acetate
CAS Name: (2E)-2-chloro-2-[[2-(2-methylprop-2-enoxymethyl)phenyl]hydrazinylidene]acetic acid ethyl ester
IUPAC NAME: ethyl (2E)-2-chloro-2-[[2-(2-methylprop-2-enoxymethyl)phenyl]hydrazinylidene]acetate
SYSTEMATIC NAME: ethyl (2E)-2-chloranyl-2-[[2-(2-methylprop-2-enoxymethyl)phenyl]hydrazinylidene]ethanoate
MOLECULAR FORMULA: C15H19ClN2O3
MOLECULAR WEIGHT: 310.77596
SMILES: CCOC(=O)/C(=N\NC1=CC=CC=C1COCC(=C)C)/Cl
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Product OPENEYE NAME: (2-nitrophenyl)methanolate
CAS Name: (2-nitrophenyl)methanolate
IUPAC NAME: (2-nitrophenyl)methanolate
SYSTEMATIC NAME: (2-nitrophenyl)methanolate
MOLECULAR FORMULA: C7H6NO3-
MOLECULAR WEIGHT: 152.12744
SMILES: C1=CC=C(C(=C1)C[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 1,5-dimethyl-2,4-diphenyl-7-oxaspiro[2.4]hepta-1,4-dien-6-one
CAS Name: 1,5-dimethyl-2,4-diphenyl-7-oxaspiro[2.4]hepta-1,4-dien-6-one
IUPAC NAME: 1,5-dimethyl-2,4-diphenyl-7-oxaspiro[2.4]hepta-1,4-dien-6-one
SYSTEMATIC NAME: 1,5-dimethyl-2,4-diphenyl-7-oxaspiro[2.4]hepta-1,4-dien-6-one
MOLECULAR FORMULA: C20H16O2
MOLECULAR WEIGHT: 288.33984
SMILES: CC1=C(C2(C(=C2C3=CC=CC=C3)C)OC1=O)C4=CC=CC=C4
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Product OPENEYE NAME: 6-[(2-thioxo-3H-1,3,4-oxadiazol-5-yl)methyl]-11H-indolo[3,2-c]isoquinolin-5-one
CAS Name: 6-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]-11H-indolo[3,2-c]isoquinolin-5-one
IUPAC NAME: 6-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]-11H-indolo[3,2-c]isoquinolin-5-one
SYSTEMATIC NAME: 6-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]-11H-indolo[3,2-c]isoquinolin-5-one
MOLECULAR FORMULA: C18H12N4O2S
MOLECULAR WEIGHT: 348.37848
SMILES: C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4N3)N(C2=O)CC5=NNC(=S)O5
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Product OPENEYE NAME: 8-methyl-6-[(2-thioxo-3H-1,3,4-oxadiazol-5-yl)methyl]-11H-indolo[3,2-c]isoquinolin-5-one
CAS Name: 8-methyl-6-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]-11H-indolo[3,2-c]isoquinolin-5-one
IUPAC NAME: 8-methyl-6-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]-11H-indolo[3,2-c]isoquinolin-5-one
SYSTEMATIC NAME: 8-methyl-6-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]-11H-indolo[3,2-c]isoquinolin-5-one
MOLECULAR FORMULA: C19H14N4O2S
MOLECULAR WEIGHT: 362.40506
SMILES: CC1=CC2=C(C=C1)NC3=C2N(C(=O)C4=CC=CC=C43)CC5=NNC(=S)O5
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Product OPENEYE NAME: 8-chloro-6-[(2-thioxo-3H-1,3,4-oxadiazol-5-yl)methyl]-11H-indolo[3,2-c]isoquinolin-5-one
CAS Name: 8-chloro-6-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]-11H-indolo[3,2-c]isoquinolin-5-one
IUPAC NAME: 8-chloro-6-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]-11H-indolo[3,2-c]isoquinolin-5-one
SYSTEMATIC NAME: 8-chloranyl-6-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]-11H-indolo[3,2-c]isoquinolin-5-one
MOLECULAR FORMULA: C18H11ClN4O2S
MOLECULAR WEIGHT: 382.82354
SMILES: C1=CC=C2C(=C1)C3=C(C4=C(N3)C=CC(=C4)Cl)N(C2=O)CC5=NNC(=S)O5
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Product OPENEYE NAME: ethyl 2-(11H-indolo[3,2-c]isoquinolin-5-ylsulfanyl)acetate
CAS Name: 2-(11H-indolo[3,2-c]isoquinolin-5-ylthio)acetic acid ethyl ester
IUPAC NAME: ethyl 2-(11H-indolo[3,2-c]isoquinolin-5-ylsulfanyl)acetate
SYSTEMATIC NAME: ethyl 2-(11H-indolo[3,2-c]isoquinolin-5-ylsulfanyl)ethanoate
MOLECULAR FORMULA: C19H16N2O2S
MOLECULAR WEIGHT: 336.40754
SMILES: CCOC(=O)CSC1=NC2=C(C3=CC=CC=C31)NC4=CC=CC=C42
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Product OPENEYE NAME: ethyl 2-[(8-methyl-11H-indolo[3,2-c]isoquinolin-5-yl)sulfanyl]acetate
CAS Name: 2-[(8-methyl-11H-indolo[3,2-c]isoquinolin-5-yl)thio]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[(8-methyl-11H-indolo[3,2-c]isoquinolin-5-yl)sulfanyl]acetate
SYSTEMATIC NAME: ethyl 2-[(8-methyl-11H-indolo[3,2-c]isoquinolin-5-yl)sulfanyl]ethanoate
MOLECULAR FORMULA: C20H18N2O2S
MOLECULAR WEIGHT: 350.43412
SMILES: CCOC(=O)CSC1=NC2=C(C3=CC=CC=C31)NC4=C2C=C(C=C4)C
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Product OPENEYE NAME: ethyl 2-[(8-chloro-11H-indolo[3,2-c]isoquinolin-5-yl)sulfanyl]acetate
CAS Name: 2-[(8-chloro-11H-indolo[3,2-c]isoquinolin-5-yl)thio]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[(8-chloro-11H-indolo[3,2-c]isoquinolin-5-yl)sulfanyl]acetate
SYSTEMATIC NAME: ethyl 2-[(8-chloranyl-11H-indolo[3,2-c]isoquinolin-5-yl)sulfanyl]ethanoate
MOLECULAR FORMULA: C19H15ClN2O2S
MOLECULAR WEIGHT: 370.8526
SMILES: CCOC(=O)CSC1=NC2=C(C3=CC=CC=C31)NC4=C2C=C(C=C4)Cl
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Product OPENEYE NAME: 2-(11H-indolo[3,2-c]isoquinolin-5-ylsulfanyl)acetohydrazide
CAS Name: 2-(11H-indolo[3,2-c]isoquinolin-5-ylthio)acetohydrazide
IUPAC NAME: 2-(11H-indolo[3,2-c]isoquinolin-5-ylsulfanyl)acetohydrazide
SYSTEMATIC NAME: 2-(11H-indolo[3,2-c]isoquinolin-5-ylsulfanyl)ethanehydrazide
MOLECULAR FORMULA: C17H14N4OS
MOLECULAR WEIGHT: 322.38426
SMILES: C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NN
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Product OPENEYE NAME: 2-[(8-methyl-11H-indolo[3,2-c]isoquinolin-5-yl)sulfanyl]acetohydrazide
CAS Name: 2-[(8-methyl-11H-indolo[3,2-c]isoquinolin-5-yl)thio]acetohydrazide
IUPAC NAME: 2-[(8-methyl-11H-indolo[3,2-c]isoquinolin-5-yl)sulfanyl]acetohydrazide
SYSTEMATIC NAME: 2-[(8-methyl-11H-indolo[3,2-c]isoquinolin-5-yl)sulfanyl]ethanehydrazide
MOLECULAR FORMULA: C18H16N4OS
MOLECULAR WEIGHT: 336.41084
SMILES: CC1=CC2=C(C=C1)NC3=C2N=C(C4=CC=CC=C43)SCC(=O)NN
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Product OPENEYE NAME: 2-[(8-chloro-11H-indolo[3,2-c]isoquinolin-5-yl)sulfanyl]acetohydrazide
CAS Name: 2-[(8-chloro-11H-indolo[3,2-c]isoquinolin-5-yl)thio]acetohydrazide
IUPAC NAME: 2-[(8-chloro-11H-indolo[3,2-c]isoquinolin-5-yl)sulfanyl]acetohydrazide
SYSTEMATIC NAME: 2-[(8-chloranyl-11H-indolo[3,2-c]isoquinolin-5-yl)sulfanyl]ethanehydrazide
MOLECULAR FORMULA: C17H13ClN4OS
MOLECULAR WEIGHT: 356.82932
SMILES: C1=CC=C2C(=C1)C3=C(C4=C(N3)C=CC(=C4)Cl)N=C2SCC(=O)NN
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Product OPENEYE NAME: 2-(11H-indolo[3,2-c]isoquinolin-5-ylsulfanyl)-1-(5-methyl-3-phenyl-pyrazol-1-yl)ethanone
CAS Name: 2-(11H-indolo[3,2-c]isoquinolin-5-ylthio)-1-(5-methyl-3-phenyl-1-pyrazolyl)ethanone
IUPAC NAME: 2-(11H-indolo[3,2-c]isoquinolin-5-ylsulfanyl)-1-(5-methyl-3-phenylpyrazol-1-yl)ethanone
SYSTEMATIC NAME: 2-(11H-indolo[3,2-c]isoquinolin-5-ylsulfanyl)-1-(5-methyl-3-phenyl-pyrazol-1-yl)ethanone
MOLECULAR FORMULA: C27H20N4OS
MOLECULAR WEIGHT: 448.5389
SMILES: CC1=CC(=NN1C(=O)CSC2=NC3=C(C4=CC=CC=C42)NC5=CC=CC=C53)C6=CC=CC=C6
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Product OPENEYE NAME: 2-[(8-methyl-11H-indolo[3,2-c]isoquinolin-5-yl)sulfanyl]-1-(5-methyl-3-phenyl-pyrazol-1-yl)ethanone
CAS Name: 2-[(8-methyl-11H-indolo[3,2-c]isoquinolin-5-yl)thio]-1-(5-methyl-3-phenyl-1-pyrazolyl)ethanone
IUPAC NAME: 2-[(8-methyl-11H-indolo[3,2-c]isoquinolin-5-yl)sulfanyl]-1-(5-methyl-3-phenylpyrazol-1-yl)ethanone
SYSTEMATIC NAME: 2-[(8-methyl-11H-indolo[3,2-c]isoquinolin-5-yl)sulfanyl]-1-(5-methyl-3-phenyl-pyrazol-1-yl)ethanone
MOLECULAR FORMULA: C28H22N4OS
MOLECULAR WEIGHT: 462.56548
SMILES: CC1=CC2=C(C=C1)NC3=C2N=C(C4=CC=CC=C43)SCC(=O)N5C(=CC(=N5)C6=CC=CC=C6)C
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Product OPENEYE NAME: 2-[(8-chloro-11H-indolo[3,2-c]isoquinolin-5-yl)sulfanyl]-1-(5-methyl-3-phenyl-pyrazol-1-yl)ethanone
CAS Name: 2-[(8-chloro-11H-indolo[3,2-c]isoquinolin-5-yl)thio]-1-(5-methyl-3-phenyl-1-pyrazolyl)ethanone
IUPAC NAME: 2-[(8-chloro-11H-indolo[3,2-c]isoquinolin-5-yl)sulfanyl]-1-(5-methyl-3-phenylpyrazol-1-yl)ethanone
SYSTEMATIC NAME: 2-[(8-chloranyl-11H-indolo[3,2-c]isoquinolin-5-yl)sulfanyl]-1-(5-methyl-3-phenyl-pyrazol-1-yl)ethanone
MOLECULAR FORMULA: C27H19ClN4OS
MOLECULAR WEIGHT: 482.98396
SMILES: CC1=CC(=NN1C(=O)CSC2=NC3=C(C4=CC=CC=C42)NC5=C3C=C(C=C5)Cl)C6=CC=CC=C6
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Product OPENEYE NAME: 1-(3,5-diphenylpyrazol-1-yl)-2-(11H-indolo[3,2-c]isoquinolin-5-ylsulfanyl)ethanone
CAS Name: 1-(3,5-diphenyl-1-pyrazolyl)-2-(11H-indolo[3,2-c]isoquinolin-5-ylthio)ethanone
IUPAC NAME: 1-(3,5-diphenylpyrazol-1-yl)-2-(11H-indolo[3,2-c]isoquinolin-5-ylsulfanyl)ethanone
SYSTEMATIC NAME: 1-(3,5-diphenylpyrazol-1-yl)-2-(11H-indolo[3,2-c]isoquinolin-5-ylsulfanyl)ethanone
MOLECULAR FORMULA: C32H22N4OS
MOLECULAR WEIGHT: 510.60828
SMILES: C1=CC=C(C=C1)C2=CC(=NN2C(=O)CSC3=NC4=C(C5=CC=CC=C53)NC6=CC=CC=C64)C7=CC=CC=C7
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Product OPENEYE NAME: 2-[2-(11H-indolo[3,2-c]isoquinolin-5-ylsulfanyl)acetyl]-5-methyl-4H-pyrazol-3-one
CAS Name: 2-[2-(11H-indolo[3,2-c]isoquinolin-5-ylthio)-1-oxoethyl]-5-methyl-4H-pyrazol-3-one
IUPAC NAME: 2-[2-(11H-indolo[3,2-c]isoquinolin-5-ylsulfanyl)acetyl]-5-methyl-4H-pyrazol-3-one
SYSTEMATIC NAME: 2-[2-(11H-indolo[3,2-c]isoquinolin-5-ylsulfanyl)ethanoyl]-5-methyl-4H-pyrazol-3-one
MOLECULAR FORMULA: C21H16N4O2S
MOLECULAR WEIGHT: 388.44234
SMILES: CC1=NN(C(=O)C1)C(=O)CSC2=NC3=C(C4=CC=CC=C42)NC5=CC=CC=C53
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Product OPENEYE NAME: 1-(3,5-diphenylpyrazol-1-yl)-2-[(8-methyl-11H-indolo[3,2-c]isoquinolin-5-yl)sulfanyl]ethanone
CAS Name: 1-(3,5-diphenyl-1-pyrazolyl)-2-[(8-methyl-11H-indolo[3,2-c]isoquinolin-5-yl)thio]ethanone
IUPAC NAME: 1-(3,5-diphenylpyrazol-1-yl)-2-[(8-methyl-11H-indolo[3,2-c]isoquinolin-5-yl)sulfanyl]ethanone
SYSTEMATIC NAME: 1-(3,5-diphenylpyrazol-1-yl)-2-[(8-methyl-11H-indolo[3,2-c]isoquinolin-5-yl)sulfanyl]ethanone
MOLECULAR FORMULA: C33H24N4OS
MOLECULAR WEIGHT: 524.63486
SMILES: CC1=CC2=C(C=C1)NC3=C2N=C(C4=CC=CC=C43)SCC(=O)N5C(=CC(=N5)C6=CC=CC=C6)C7=CC=CC=C7
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Product OPENEYE NAME: 2-[(8-chloro-11H-indolo[3,2-c]isoquinolin-5-yl)sulfanyl]-1-(3,5-diphenylpyrazol-1-yl)ethanone
CAS Name: 2-[(8-chloro-11H-indolo[3,2-c]isoquinolin-5-yl)thio]-1-(3,5-diphenyl-1-pyrazolyl)ethanone
IUPAC NAME: 2-[(8-chloro-11H-indolo[3,2-c]isoquinolin-5-yl)sulfanyl]-1-(3,5-diphenylpyrazol-1-yl)ethanone
SYSTEMATIC NAME: 2-[(8-chloranyl-11H-indolo[3,2-c]isoquinolin-5-yl)sulfanyl]-1-(3,5-diphenylpyrazol-1-yl)ethanone
MOLECULAR FORMULA: C32H21ClN4OS
MOLECULAR WEIGHT: 545.05334
SMILES: C1=CC=C(C=C1)C2=CC(=NN2C(=O)CSC3=NC4=C(C5=CC=CC=C53)NC6=C4C=C(C=C6)Cl)C7=CC=CC=C7
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Product OPENEYE NAME: 5-methyl-2-[2-[(8-methyl-11H-indolo[3,2-c]isoquinolin-5-yl)sulfanyl]acetyl]-4H-pyrazol-3-one
CAS Name: 5-methyl-2-[2-[(8-methyl-11H-indolo[3,2-c]isoquinolin-5-yl)thio]-1-oxoethyl]-4H-pyrazol-3-one
IUPAC NAME: 5-methyl-2-[2-[(8-methyl-11H-indolo[3,2-c]isoquinolin-5-yl)sulfanyl]acetyl]-4H-pyrazol-3-one
SYSTEMATIC NAME: 5-methyl-2-[2-[(8-methyl-11H-indolo[3,2-c]isoquinolin-5-yl)sulfanyl]ethanoyl]-4H-pyrazol-3-one
MOLECULAR FORMULA: C22H18N4O2S
MOLECULAR WEIGHT: 402.46892
SMILES: CC1=NN(C(=O)C1)C(=O)CSC2=NC3=C(C4=CC=CC=C42)NC5=C3C=C(C=C5)C
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