Tuesday, July 30, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 3-cyano-1-methoxy-2-methyl-isothiourea
CAS Name: N'-cyano-N-methoxycarbamimidothioic acid methyl ester
IUPAC NAME: methyl N'-cyano-N-methoxycarbamimidothioate
SYSTEMATIC NAME: methyl N'-cyano-N-methoxy-carbamimidothioate
MOLECULAR FORMULA: C4H7N3OS
MOLECULAR WEIGHT: 145.18288
SMILES: CONC(=NC#N)SC
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Product OPENEYE NAME: (Z)-1-hydrazino-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-nitro-ethenamine
CAS Name: (Z)-1-hydrazinyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]-2-nitroethenamine
IUPAC NAME: (Z)-1-hydrazinyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-nitroethenamine
SYSTEMATIC NAME: (Z)-1-diazanyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-nitro-ethenamine
MOLECULAR FORMULA: C9H16N6O2S
MOLECULAR WEIGHT: 272.32734
SMILES: CC1=C(N=CN1)CSCCN/C(=C/[N+](=O)[O-])/NN
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Product OPENEYE NAME: 1-amino-3-[2-[(3-bromo-2-pyridyl)methylsulfanyl]ethyl]thiourea
CAS Name: 1-amino-3-[2-[(3-bromo-2-pyridinyl)methylthio]ethyl]thiourea
IUPAC NAME: 1-amino-3-[2-[(3-bromopyridin-2-yl)methylsulfanyl]ethyl]thiourea
SYSTEMATIC NAME: 1-azanyl-3-[2-[(3-bromanylpyridin-2-yl)methylsulfanyl]ethyl]thiourea
MOLECULAR FORMULA: C9H13BrN4S2
MOLECULAR WEIGHT: 321.26032
SMILES: C1=CC(=C(N=C1)CSCCNC(=S)NN)Br
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Product OPENEYE NAME: (E)-N1-[2-[(3-bromo-2-pyridyl)methylsulfanyl]ethyl]-2-nitro-N1'-(2,2,2-trifluoroethyl)ethene-1,1-diamine
CAS Name: (E)-N1-[2-[(3-bromo-2-pyridinyl)methylthio]ethyl]-2-nitro-N1'-(2,2,2-trifluoroethyl)ethene-1,1-diamine
IUPAC NAME: (E)-1-N-[2-[(3-bromopyridin-2-yl)methylsulfanyl]ethyl]-2-nitro-1-N'-(2,2,2-trifluoroethyl)ethene-1,1-diamine
SYSTEMATIC NAME: (E)-N1-[2-[(3-bromanylpyridin-2-yl)methylsulfanyl]ethyl]-2-nitro-N1'-[2,2,2-tris(fluoranyl)ethyl]ethene-1,1-diamine
MOLECULAR FORMULA: C12H14BrF3N4O2S
MOLECULAR WEIGHT: 415.22937
SMILES: C1=CC(=C(N=C1)CSCCN/C(=C/[N+](=O)[O-])/NCC(F)(F)F)Br
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Product OPENEYE NAME: (E)-N1-[2-[(3-chloro-2-pyridyl)methylsulfanyl]ethyl]-2-nitro-N1'-(2,2,2-trifluoroethyl)ethene-1,1-diamine
CAS Name: (E)-N1-[2-[(3-chloro-2-pyridinyl)methylthio]ethyl]-2-nitro-N1'-(2,2,2-trifluoroethyl)ethene-1,1-diamine
IUPAC NAME: (E)-1-N-[2-[(3-chloropyridin-2-yl)methylsulfanyl]ethyl]-2-nitro-1-N'-(2,2,2-trifluoroethyl)ethene-1,1-diamine
SYSTEMATIC NAME: (E)-N1-[2-[(3-chloranylpyridin-2-yl)methylsulfanyl]ethyl]-2-nitro-N1'-[2,2,2-tris(fluoranyl)ethyl]ethene-1,1-diamine
MOLECULAR FORMULA: C12H14ClF3N4O2S
MOLECULAR WEIGHT: 370.77837
SMILES: C1=CC(=C(N=C1)CSCCN/C(=C/[N+](=O)[O-])/NCC(F)(F)F)Cl
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Product OPENEYE NAME: 1-amino-3-[2-(1,3,4-thiadiazol-2-ylmethylsulfanyl)ethyl]thiourea
CAS Name: 1-amino-3-[2-(1,3,4-thiadiazol-2-ylmethylthio)ethyl]thiourea
IUPAC NAME: 1-amino-3-[2-(1,3,4-thiadiazol-2-ylmethylsulfanyl)ethyl]thiourea
SYSTEMATIC NAME: 1-azanyl-3-[2-(1,3,4-thiadiazol-2-ylmethylsulfanyl)ethyl]thiourea
MOLECULAR FORMULA: C6H11N5S3
MOLECULAR WEIGHT: 249.38004
SMILES: C1=NN=C(S1)CSCCNC(=S)NN
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Product OPENEYE NAME: 1-allyl-2-cyano-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
CAS Name: 2-cyano-1-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]-1-prop-2-enylguanidine
IUPAC NAME: 2-cyano-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1-prop-2-enylguanidine
SYSTEMATIC NAME: 2-cyano-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1-prop-2-enyl-guanidine
MOLECULAR FORMULA: C12H18N6S
MOLECULAR WEIGHT: 278.37652
SMILES: CC1=C(N=CN1)CSCCN(CC=C)C(=NC#N)N
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Product OPENEYE NAME: (E)-N1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-nitro-N1'-(2,2,2-trifluoroethyl)ethene-1,1-diamine
CAS Name: (E)-N1-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]-2-nitro-N1'-(2,2,2-trifluoroethyl)ethene-1,1-diamine
IUPAC NAME: (E)-1-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-nitro-1-N'-(2,2,2-trifluoroethyl)ethene-1,1-diamine
SYSTEMATIC NAME: (E)-N1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-nitro-N1'-[2,2,2-tris(fluoranyl)ethyl]ethene-1,1-diamine
MOLECULAR FORMULA: C11H16F3N5O2S
MOLECULAR WEIGHT: 339.33725
SMILES: CC1=C(N=CN1)CSCCN/C(=C/[N+](=O)[O-])/NCC(F)(F)F
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Product OPENEYE NAME: 1-amino-3-[2-(isothiazol-3-ylmethylsulfanyl)ethyl]thiourea
CAS Name: 1-amino-3-[2-(3-isothiazolylmethylthio)ethyl]thiourea
IUPAC NAME: 1-amino-3-[2-(1,2-thiazol-3-ylmethylsulfanyl)ethyl]thiourea
SYSTEMATIC NAME: 1-azanyl-3-[2-(1,2-thiazol-3-ylmethylsulfanyl)ethyl]thiourea
MOLECULAR FORMULA: C7H12N4S3
MOLECULAR WEIGHT: 248.39198
SMILES: C1=CSN=C1CSCCNC(=S)NN
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Product OPENEYE NAME: 2-(12-aminododecyl)-1-cyano-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
CAS Name: 2-(12-aminododecyl)-1-cyano-1-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine
IUPAC NAME: 2-(12-aminododecyl)-1-cyano-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
SYSTEMATIC NAME: 2-(12-azanyldodecyl)-1-cyano-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
MOLECULAR FORMULA: C21H39N7S
MOLECULAR WEIGHT: 421.64626
SMILES: CC1=C(N=CN1)CSCCN(C#N)C(=NCCCCCCCCCCCCN)N
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Product OPENEYE NAME: 2-(2-aminoethyl)-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine trihydrochloride
CAS Name: 2-(2-aminoethyl)-1-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine trihydrochloride
IUPAC NAME: 2-(2-aminoethyl)-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine trihydrochloride
SYSTEMATIC NAME: 2-(2-azanylethyl)-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine trihydrochloride
MOLECULAR FORMULA: C10H23Cl3N6S
MOLECULAR WEIGHT: 365.75382
SMILES: CC1=C(N=CN1)CSCCNC(=NCCN)N.Cl.Cl.Cl
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Product OPENEYE NAME: 1-cyano-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-(2,2,2-trifluoroethyl)guanidine
CAS Name: 1-cyano-1-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]-2-(2,2,2-trifluoroethyl)guanidine
IUPAC NAME: 1-cyano-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-(2,2,2-trifluoroethyl)guanidine
SYSTEMATIC NAME: 1-cyano-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-[2,2,2-tris(fluoranyl)ethyl]guanidine
MOLECULAR FORMULA: C11H15F3N6S
MOLECULAR WEIGHT: 320.33721
SMILES: CC1=C(N=CN1)CSCCN(C#N)C(=NCC(F)(F)F)N
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Product OPENEYE NAME: 2-(4-aminobutyl)-1-cyano-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
CAS Name: 2-(4-aminobutyl)-1-cyano-1-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine
IUPAC NAME: 2-(4-aminobutyl)-1-cyano-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
SYSTEMATIC NAME: 2-(4-azanylbutyl)-1-cyano-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
MOLECULAR FORMULA: C13H23N7S
MOLECULAR WEIGHT: 309.43362
SMILES: CC1=C(N=CN1)CSCCN(C#N)C(=NCCCCN)N
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Product OPENEYE NAME: 2-[2-[[(E)-2-nitro-1-(2,2,2-trifluoroethylamino)vinyl]amino]ethylsulfanylmethyl]pyridin-3-ol
CAS Name: 2-[[2-[[(E)-2-nitro-1-(2,2,2-trifluoroethylamino)ethenyl]amino]ethylthio]methyl]-3-pyridinol
IUPAC NAME: 2-[2-[[(E)-2-nitro-1-(2,2,2-trifluoroethylamino)ethenyl]amino]ethylsulfanylmethyl]pyridin-3-ol
SYSTEMATIC NAME: 2-[2-[[(E)-2-nitro-1-[2,2,2-tris(fluoranyl)ethylamino]ethenyl]amino]ethylsulfanylmethyl]pyridin-3-ol
MOLECULAR FORMULA: C12H15F3N4O3S
MOLECULAR WEIGHT: 352.33271
SMILES: C1=CC(=C(N=C1)CSCCN/C(=C/[N+](=O)[O-])/NCC(F)(F)F)O
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