CAS RN: 65479-56-3
CAS Name: N-[hydrazinyl(sulfanylidene)methyl]carbamic acid ethyl ester
OPENEYE Name: ethyl N-(aminocarbamothioyl)carbamate
IUPAC Name: ethyl N-(aminocarbamothioyl)carbamate
SYSTEMATIC NAME: ethyl N-(azanylcarbamothioyl)carbamate
MOLECULAR FORMULA: C4H9N3O2S
MOLECULAR WEIGHT: 163.19816
SMILES: CCOC(=O)NC(=S)NN
Structure:
CAS RN: 13578-61-5
CAS Name: 1-(2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]thiourea
OPENEYE Name: 1-(2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]thiourea
IUPAC Name: 1-(2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]thiourea
SYSTEMATIC NAME: 1-(2-hydroxyethyl)-3-[3-(trifluoromethyl)phenyl]thiourea
MOLECULAR FORMULA: C10H11F3N2OS
MOLECULAR WEIGHT: 264.26735
SMILES: C1=CC(=CC(=C1)NC(=S)NCCO)C(F)(F)F
Structure:
CAS RN: 56661-83-7
CAS Name: 2-[(4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]benzoic acid
OPENEYE Name: 2-[(4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]benzoic acid
IUPAC Name: 2-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid
SYSTEMATIC NAME: 2-[(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid
MOLECULAR FORMULA: C11H7NO3S2
MOLECULAR WEIGHT: 265.30818
SMILES: C1=CC=C(C(=C1)C=C2C(=O)NC(=S)S2)C(=O)O
Structure:
CAS RN: 405-74-3
CAS Name: (4-fluorophenyl)methylthiourea
OPENEYE Name: (4-fluorophenyl)methylthiourea
IUPAC Name: (4-fluorophenyl)methylthiourea
SYSTEMATIC NAME: 1-[(4-fluorophenyl)methyl]thiourea
MOLECULAR FORMULA: C8H9FN2S
MOLECULAR WEIGHT: 184.233863
SMILES: C1=CC(=CC=C1CNC(=S)N)F
Structure:
CAS RN: 93591-70-9
CAS Name: 1-(3,4-dihydro-2H-1-benzopyran-6-yl)-3-(dimethylamino)-1-propanone hydrochloride
OPENEYE Name: 1-chroman-6-yl-3-(dimethylamino)propan-1-one hydrochloride
IUPAC Name: 1-(3,4-dihydro-2H-chromen-6-yl)-3-(dimethylamino)propan-1-one hydrochloride
SYSTEMATIC NAME: 1-(3,4-dihydro-2H-chromen-6-yl)-3-(dimethylamino)propan-1-one hydrochloride
MOLECULAR FORMULA: C14H20ClNO2
MOLECULAR WEIGHT: 269.7671
SMILES: CN(C)CCC(=O)C1=CC2=C(C=C1)OCCC2.Cl
Structure:
CAS RN: 4768-40-5
CAS Name: 2-[3-(4-methylanilino)-3-(4-methylphenyl)prop-2-enylidene]propanedinitrile
OPENEYE Name: 2-[3-(4-methylanilino)-3-(p-tolyl)prop-2-enylidene]propanedinitrile
IUPAC Name: 2-[3-(4-methylanilino)-3-(4-methylphenyl)prop-2-enylidene]propanedinitrile
SYSTEMATIC NAME: 2-[3-(4-methylphenyl)-3-[(4-methylphenyl)amino]prop-2-enylidene]propanedinitrile
MOLECULAR FORMULA: C20H17N3
MOLECULAR WEIGHT: 299.36908
SMILES: CC1=CC=C(C=C1)C(=CC=C(C#N)C#N)NC2=CC=C(C=C2)C
Structure:
CAS RN: 63986-29-8
CAS Name: acetic acid [3-[1-(4-nitrophenyl)-3-oxobutyl]-2-oxo-1-benzopyran-4-yl] ester
OPENEYE Name: [3-[1-(4-nitrophenyl)-3-oxo-butyl]-2-oxo-chromen-4-yl] acetate
IUPAC Name: [3-[1-(4-nitrophenyl)-3-oxobutyl]-2-oxochromen-4-yl] acetate
SYSTEMATIC NAME: [3-[1-(4-nitrophenyl)-3-oxidanylidene-butyl]-2-oxidanylidene-chromen-4-yl] ethanoate
MOLECULAR FORMULA: C21H17NO7
MOLECULAR WEIGHT: 395.36218
SMILES: CC(=O)CC(C1=CC=C(C=C1)[N+](=O)[O-])C2=C(C3=CC=CC=C3OC2=O)OC(=O)C
Structure:
CAS RN: 27806-84-4
CAS Name: N'-phenylcarbamimidothioic acid methyl ester hydroiodide
OPENEYE Name: 2-methyl-3-phenyl-isothiourea hydroiodide
IUPAC Name: methyl N'-phenylcarbamimidothioate hydroiodide
SYSTEMATIC NAME: methyl N'-phenylcarbamimidothioate hydroiodide
MOLECULAR FORMULA: C8H11IN2S
MOLECULAR WEIGHT: 294.15581
SMILES: CSC(=NC1=CC=CC=C1)N.I
Structure:
CAS RN: 111326-48-8
CAS Name: 3-nitro-7-benzo[b]phenalenone
OPENEYE Name: 3-nitrobenzo[b]phenalen-7-one
IUPAC Name: 3-nitrobenzo[b]phenalen-7-one
SYSTEMATIC NAME: 3-nitrobenzo[b]phenalen-7-one
MOLECULAR FORMULA: C17H9NO3
MOLECULAR WEIGHT: 275.25826
SMILES: C1=CC=C2C(=C1)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O
Structure:
CAS RN: 17117-34-9
CAS Name: 3-nitro-7-benzo[b]phenalenone
OPENEYE Name: 3-nitrobenzo[b]phenalen-7-one
IUPAC Name: 3-nitrobenzo[b]phenalen-7-one
SYSTEMATIC NAME: 3-nitrobenzo[b]phenalen-7-one
MOLECULAR FORMULA: C17H9NO3
MOLECULAR WEIGHT: 275.25826
SMILES: C1=CC=C2C(=C1)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O
Structure:
CAS RN: 85896-14-6
CAS Name: 2-chloro-N-cyclohexyl-N-methyl-4-nitroaniline
OPENEYE Name: 2-chloro-N-cyclohexyl-N-methyl-4-nitro-aniline
IUPAC Name: 2-chloro-N-cyclohexyl-N-methyl-4-nitroaniline
SYSTEMATIC NAME: 2-chloranyl-N-cyclohexyl-N-methyl-4-nitro-aniline
MOLECULAR FORMULA: C13H17ClN2O2
MOLECULAR WEIGHT: 268.73928
SMILES: CN(C1CCCCC1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl
Structure:
CAS RN: 16155-03-6
CAS Name: 1-methyl-4-(4-nitrophenyl)piperazine
OPENEYE Name: 1-methyl-4-(4-nitrophenyl)piperazine
IUPAC Name: 1-methyl-4-(4-nitrophenyl)piperazine
SYSTEMATIC NAME: 1-methyl-4-(4-nitrophenyl)piperazine
MOLECULAR FORMULA: C11H15N3O2
MOLECULAR WEIGHT: 221.2557
SMILES: CN1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 50671-00-6
CAS Name: N-(3-amino-4-chlorophenyl)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]acetamide
OPENEYE Name: N-(3-amino-4-chloro-phenyl)-2-[2,4-bis(1,1-dimethylpropyl)phenoxy]acetamide
IUPAC Name: N-(3-amino-4-chlorophenyl)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]acetamide
SYSTEMATIC NAME: N-(3-azanyl-4-chloranyl-phenyl)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]ethanamide
MOLECULAR FORMULA: C24H33ClN2O2
MOLECULAR WEIGHT: 416.98402
SMILES: CCC(C)(C)C1=CC(=C(C=C1)OCC(=O)NC2=CC(=C(C=C2)Cl)N)C(C)(C)CC
Structure:
CAS RN: 6334-24-3
CAS Name: (4E)-5-methyl-4-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)-2-phenyl-3-pyrazolone
OPENEYE Name: (4E)-5-methyl-4-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-2-phenyl-pyrazol-3-one
IUPAC Name: (4E)-5-methyl-4-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-2-phenylpyrazol-3-one
SYSTEMATIC NAME: (4E)-5-methyl-4-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-2-phenyl-pyrazol-3-one
MOLECULAR FORMULA: C20H16N4O2
MOLECULAR WEIGHT: 344.36664
SMILES: CC\1=NN(C(=O)/C1=C/2\C(=NN(C2=O)C3=CC=CC=C3)C)C4=CC=CC=C4
Structure:
CAS RN: 114462-77-0
CAS Name: 1-(4-chlorophenyl)-5-(2-methoxy-2-oxoethyl)-4-triazolecarboxylic acid methyl ester
OPENEYE Name: methyl 1-(4-chlorophenyl)-5-(2-methoxy-2-oxo-ethyl)triazole-4-carboxylate
IUPAC Name: methyl 1-(4-chlorophenyl)-5-(2-methoxy-2-oxoethyl)triazole-4-carboxylate
SYSTEMATIC NAME: methyl 1-(4-chlorophenyl)-5-(2-methoxy-2-oxidanylidene-ethyl)-1,2,3-triazole-4-carboxylate
MOLECULAR FORMULA: C13H12ClN3O4
MOLECULAR WEIGHT: 309.70508
SMILES: COC(=O)CC1=C(N=NN1C2=CC=C(C=C2)Cl)C(=O)OC
Structure:
CAS RN: 7692-89-9
CAS Name: 5-oxo-3-phenyl-2H-furan-4-carbonitrile
OPENEYE Name: 5-oxo-3-phenyl-2H-furan-4-carbonitrile
IUPAC Name: 5-oxo-3-phenyl-2H-furan-4-carbonitrile
SYSTEMATIC NAME: 5-oxidanylidene-3-phenyl-2H-furan-4-carbonitrile
MOLECULAR FORMULA: C11H7NO2
MOLECULAR WEIGHT: 185.17878
SMILES: C1C(=C(C(=O)O1)C#N)C2=CC=CC=C2
Structure:
CAS RN: 26029-04-9
CAS Name: 1-benzamido-3-prop-2-enylthiourea
OPENEYE Name: 1-allyl-3-benzamido-thiourea
IUPAC Name: 1-benzamido-3-prop-2-enylthiourea
SYSTEMATIC NAME: 1-benzamido-3-prop-2-enyl-thiourea
MOLECULAR FORMULA: C11H13N3OS
MOLECULAR WEIGHT: 235.30542
SMILES: C=CCNC(=S)NNC(=O)C1=CC=CC=C1
Structure:
CAS RN: 4767-34-4
CAS Name: 4-[3-[(3,5-dimethyl-1-pyrazolyl)sulfonyl]-4-methoxyphenyl]thiadiazole
OPENEYE Name: 4-[3-(3,5-dimethylpyrazol-1-yl)sulfonyl-4-methoxy-phenyl]thiadiazole
IUPAC Name: 4-[3-(3,5-dimethylpyrazol-1-yl)sulfonyl-4-methoxyphenyl]thiadiazole
SYSTEMATIC NAME: 4-[3-(3,5-dimethylpyrazol-1-yl)sulfonyl-4-methoxy-phenyl]-1,2,3-thiadiazole
MOLECULAR FORMULA: C14H14N4O3S2
MOLECULAR WEIGHT: 350.41596
SMILES: CC1=CC(=NN1S(=O)(=O)C2=C(C=CC(=C2)C3=CSN=N3)OC)C
Structure:
CAS RN: 120337-35-1
CAS Name: 1,3,5-trimethyl-2,3-dihydro-1,5-benzodiazepin-4-one
OPENEYE Name: 1,3,5-trimethyl-2,3-dihydro-1,5-benzodiazepin-4-one
IUPAC Name: 1,3,5-trimethyl-2,3-dihydro-1,5-benzodiazepin-4-one
SYSTEMATIC NAME: 1,3,5-trimethyl-2,3-dihydro-1,5-benzodiazepin-4-one
MOLECULAR FORMULA: C12H16N2O
MOLECULAR WEIGHT: 204.26824
SMILES: CC1CN(C2=CC=CC=C2N(C1=O)C)C
Structure:
CAS RN: 10131-48-3
CAS Name: 2,6-dimethyl-3-pyridinecarboxamide
OPENEYE Name: 2,6-dimethylpyridine-3-carboxamide
IUPAC Name: 2,6-dimethylpyridine-3-carboxamide
SYSTEMATIC NAME: 2,6-dimethylpyridine-3-carboxamide
MOLECULAR FORMULA: C8H10N2O
MOLECULAR WEIGHT: 150.1778
SMILES: CC1=NC(=C(C=C1)C(=O)N)C
Structure:
CAS RN: 4766-93-2
CAS Name: N-(2,4-difluorophenyl)-2-(4-methyl-1-piperazinyl)acetamide
OPENEYE Name: N-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
IUPAC Name: N-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
SYSTEMATIC NAME: N-[2,4-bis(fluoranyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanamide
MOLECULAR FORMULA: C13H17F2N3O
MOLECULAR WEIGHT: 269.290386
SMILES: CN1CCN(CC1)CC(=O)NC2=C(C=C(C=C2)F)F
Structure:
CAS RN: 122-36-1
CAS Name: N,N'-dicyclohexylethanedithioamide
OPENEYE Name: N,N'-dicyclohexylethanedithioamide
IUPAC Name: N,N'-dicyclohexylethanedithioamide
SYSTEMATIC NAME: N,N'-dicyclohexylethanedithioamide
MOLECULAR FORMULA: C14H24N2S2
MOLECULAR WEIGHT: 284.48376
SMILES: C1CCC(CC1)NC(=S)C(=S)NC2CCCCC2
Structure:
CAS RN: 4766-56-7
CAS Name: N-[(3-methyl-1-benzothiophen-2-yl)methylideneamino]carbamic acid ethyl ester
OPENEYE Name: ethyl N-[(3-methylbenzothiophen-2-yl)methyleneamino]carbamate
IUPAC Name: ethyl N-[(3-methyl-1-benzothiophen-2-yl)methylideneamino]carbamate
SYSTEMATIC NAME: ethyl N-[(3-methyl-1-benzothiophen-2-yl)methylideneamino]carbamate
MOLECULAR FORMULA: C13H14N2O2S
MOLECULAR WEIGHT: 262.32746
SMILES: CCOC(=O)NN=CC1=C(C2=CC=CC=C2S1)C
Structure:
CAS RN: 66242-82-8
CAS Name: 6-(3-pyridinyl)-1H-pyrimidine-2-thione
OPENEYE Name: 6-(3-pyridyl)-1H-pyrimidine-2-thione
IUPAC Name: 6-pyridin-3-yl-1H-pyrimidine-2-thione
SYSTEMATIC NAME: 6-pyridin-3-yl-1H-pyrimidine-2-thione
MOLECULAR FORMULA: C9H7N3S
MOLECULAR WEIGHT: 189.23698
SMILES: C1=CC(=CN=C1)C2=CC=NC(=S)N2
Structure:
CAS RN: 20699-85-8
CAS Name: 5-amino-1-benzothiophene-2-carboxylic acid methyl ester
OPENEYE Name: methyl 5-aminobenzothiophene-2-carboxylate
IUPAC Name: methyl 5-amino-1-benzothiophene-2-carboxylate
SYSTEMATIC NAME: methyl 5-azanyl-1-benzothiophene-2-carboxylate
MOLECULAR FORMULA: C10H9NO2S
MOLECULAR WEIGHT: 207.24896
SMILES: COC(=O)C1=CC2=C(S1)C=CC(=C2)N
Structure:
CAS RN: 22900-83-0
CAS Name: 2-bromo-4-methyl-5-thiazolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-bromo-4-methyl-thiazole-5-carboxylate
IUPAC Name: ethyl 2-bromo-4-methyl-1,3-thiazole-5-carboxylate
SYSTEMATIC NAME: ethyl 2-bromanyl-4-methyl-1,3-thiazole-5-carboxylate
MOLECULAR FORMULA: C7H8BrNO2S
MOLECULAR WEIGHT: 250.11292
SMILES: CCOC(=O)C1=C(N=C(S1)Br)C
Structure:
CAS RN: 499785-52-3
CAS Name: 1-methyl-5-benzotriazolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 1-methylbenzotriazole-5-carboxylate
IUPAC Name: ethyl 1-methylbenzotriazole-5-carboxylate
SYSTEMATIC NAME: ethyl 1-methylbenzotriazole-5-carboxylate
MOLECULAR FORMULA: C10H11N3O2
MOLECULAR WEIGHT: 205.21324
SMILES: CCOC(=O)C1=CC2=C(C=C1)N(N=N2)C
Structure:
CAS RN: 66315-23-9
CAS Name: 3-amino-4-(methylamino)benzoic acid ethyl ester
OPENEYE Name: ethyl 3-amino-4-(methylamino)benzoate
IUPAC Name: ethyl 3-amino-4-(methylamino)benzoate
SYSTEMATIC NAME: ethyl 3-azanyl-4-(methylamino)benzoate
MOLECULAR FORMULA: C10H14N2O2
MOLECULAR WEIGHT: 194.23036
SMILES: CCOC(=O)C1=CC(=C(C=C1)NC)N
Structure:
CAS RN: 6601-00-9
CAS Name: 1,3-bis(3-methoxyphenyl)thiourea
OPENEYE Name: 1,3-bis(3-methoxyphenyl)thiourea
IUPAC Name: 1,3-bis(3-methoxyphenyl)thiourea
SYSTEMATIC NAME: 1,3-bis(3-methoxyphenyl)thiourea
MOLECULAR FORMULA: C15H16N2O2S
MOLECULAR WEIGHT: 288.36474
SMILES: COC1=CC=CC(=C1)NC(=S)NC2=CC(=CC=C2)OC
Structure:
CAS RN: 94646-91-0
CAS Name: 1-[[oxo(pyridin-4-yl)methyl]amino]-3-propylthiourea
OPENEYE Name: 1-propyl-3-(pyridine-4-carbonylamino)thiourea
IUPAC Name: 1-propyl-3-(pyridine-4-carbonylamino)thiourea
SYSTEMATIC NAME: 1-propyl-3-(pyridin-4-ylcarbonylamino)thiourea
MOLECULAR FORMULA: C10H14N4OS
MOLECULAR WEIGHT: 238.30936
SMILES: CCCNC(=S)NNC(=O)C1=CC=NC=C1
Structure:
CAS RN: 4406-96-6
CAS Name: 1-methyl-3-[[oxo(pyridin-4-yl)methyl]amino]thiourea
OPENEYE Name: 1-methyl-3-(pyridine-4-carbonylamino)thiourea
IUPAC Name: 1-methyl-3-(pyridine-4-carbonylamino)thiourea
SYSTEMATIC NAME: 1-methyl-3-(pyridin-4-ylcarbonylamino)thiourea
MOLECULAR FORMULA: C8H10N4OS
MOLECULAR WEIGHT: 210.2562
SMILES: CNC(=S)NNC(=O)C1=CC=NC=C1
Structure:
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