CAS RN: 886-29-3
CAS Name: [[(3-nitrophenyl)-oxomethyl]amino]thiourea
OPENEYE Name: [(3-nitrobenzoyl)amino]thiourea
IUPAC Name: [(3-nitrobenzoyl)amino]thiourea
SYSTEMATIC NAME: 1-[(3-nitrophenyl)carbonylamino]thiourea
MOLECULAR FORMULA: C8H8N4O3S
MOLECULAR WEIGHT: 240.23912
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NNC(=S)N
Structure:
CAS RN: 201742-26-9
CAS Name: phosphoric acid tris(5-methyl-2-nitrophenyl) ester
OPENEYE Name: tris(5-methyl-2-nitro-phenyl) phosphate
IUPAC Name: tris(5-methyl-2-nitrophenyl) phosphate
SYSTEMATIC NAME: tris(5-methyl-2-nitro-phenyl) phosphate
MOLECULAR FORMULA: C21H18N3O10P
MOLECULAR WEIGHT: 503.355481
SMILES: CC1=CC(=C(C=C1)[N+](=O)[O-])OP(=O)(OC2=C(C=CC(=C2)C)[N+](=O)[O-])OC3=C(C=CC(=C3)C)[N+](=O)[O-]
Structure:
CAS RN: 117932-73-7
CAS Name: benzene-1,2-dicarboxylic acid O2-[4-[[2-[4-hydroxybutoxy(oxo)methyl]phenyl]-oxomethoxy]butyl] ester O1-(4-hydroxybutyl) ester
OPENEYE Name: O2-[4-[2-(4-hydroxybutoxycarbonyl)benzoyl]oxybutyl] O1-(4-hydroxybutyl) benzene-1,2-dicarboxylate
IUPAC Name: 2-O-[4-[2-(4-hydroxybutoxycarbonyl)benzoyl]oxybutyl] 1-O-(4-hydroxybutyl) benzene-1,2-dicarboxylate
SYSTEMATIC NAME: O2-[4-[2-(4-oxidanylbutoxycarbonyl)phenyl]carbonyloxybutyl] O1-(4-oxidanylbutyl) benzene-1,2-dicarboxylate
MOLECULAR FORMULA: C28H34O10
MOLECULAR WEIGHT: 530.56356
SMILES: C1=CC=C(C(=C1)C(=O)OCCCCO)C(=O)OCCCCOC(=O)C2=CC=CC=C2C(=O)OCCCCO
Structure:
CAS RN: 35872-25-4
CAS Name: 4-(2,4-dichlorophenyl)azo-3,5-dimethyl-1-pyrazolecarbothioamide
OPENEYE Name: 4-(2,4-dichlorophenyl)azo-3,5-dimethyl-pyrazole-1-carbothioamide
IUPAC Name: 4-[(2,4-dichlorophenyl)diazenyl]-3,5-dimethylpyrazole-1-carbothioamide
SYSTEMATIC NAME: 4-[(2,4-dichlorophenyl)diazenyl]-3,5-dimethyl-pyrazole-1-carbothioamide
MOLECULAR FORMULA: C12H11Cl2N5S
MOLECULAR WEIGHT: 328.22024
SMILES: CC1=C(C(=NN1C(=S)N)C)N=NC2=C(C=C(C=C2)Cl)Cl
Structure:
CAS RN: 64510-88-9
CAS Name: 4-(phenyliminomethyl)benzenecarbothioamide
OPENEYE Name: 4-(phenyliminomethyl)benzenecarbothioamide
IUPAC Name: 4-(phenyliminomethyl)benzenecarbothioamide
SYSTEMATIC NAME: 4-(phenyliminomethyl)benzenecarbothioamide
MOLECULAR FORMULA: C14H12N2S
MOLECULAR WEIGHT: 240.32348
SMILES: C1=CC=C(C=C1)N=CC2=CC=C(C=C2)C(=S)N
Structure:
CAS RN: 38985-70-5
CAS Name: 1-amino-3-(4-nitrophenyl)thiourea
OPENEYE Name: 1-amino-3-(4-nitrophenyl)thiourea
IUPAC Name: 1-amino-3-(4-nitrophenyl)thiourea
SYSTEMATIC NAME: 1-azanyl-3-(4-nitrophenyl)thiourea
MOLECULAR FORMULA: C7H8N4O2S
MOLECULAR WEIGHT: 212.22902
SMILES: C1=CC(=CC=C1NC(=S)NN)[N+](=O)[O-]
Structure:
CAS RN: 91349-33-6
CAS Name: 4-(chloromethyl)-2-(2-methylphenyl)thiazole
OPENEYE Name: 4-(chloromethyl)-2-(o-tolyl)thiazole
IUPAC Name: 4-(chloromethyl)-2-(2-methylphenyl)-1,3-thiazole
SYSTEMATIC NAME: 4-(chloromethyl)-2-(2-methylphenyl)-1,3-thiazole
MOLECULAR FORMULA: C11H10ClNS
MOLECULAR WEIGHT: 223.7218
SMILES: CC1=CC=CC=C1C2=NC(=CS2)CCl
Structure:
CAS RN: 6956-95-2
CAS Name: 6-[(2-hydroperoxy-2-methoxyethyl)thio]-7H-purine
OPENEYE Name: 6-(2-hydroperoxy-2-methoxy-ethyl)sulfanyl-7H-purine
IUPAC Name: 6-(2-hydroperoxy-2-methoxyethyl)sulfanyl-7H-purine
SYSTEMATIC NAME: 6-[2-(dioxidanyl)-2-methoxy-ethyl]sulfanyl-7H-purine
MOLECULAR FORMULA: C8H10N4O3S
MOLECULAR WEIGHT: 242.255
SMILES: COC(CSC1=NC=NC2=C1NC=N2)OO
Structure:
CAS RN: 588681-49-6
CAS Name: 3-[(2-chloro-4-fluorophenyl)methoxy]benzaldehyde
OPENEYE Name: 3-[(2-chloro-4-fluoro-phenyl)methoxy]benzaldehyde
IUPAC Name: 3-[(2-chloro-4-fluorophenyl)methoxy]benzaldehyde
SYSTEMATIC NAME: 3-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]benzaldehyde
MOLECULAR FORMULA: C14H10ClFO2
MOLECULAR WEIGHT: 264.679403
SMILES: C1=CC(=CC(=C1)OCC2=C(C=C(C=C2)F)Cl)C=O
Structure:
CAS RN: 61516-76-5
CAS Name: 2-(2-oxo-1-azepanyl)acetic acid ethyl ester
OPENEYE Name: ethyl 2-(2-oxoazepan-1-yl)acetate
IUPAC Name: ethyl 2-(2-oxoazepan-1-yl)acetate
SYSTEMATIC NAME: ethyl 2-(2-oxidanylideneazepan-1-yl)ethanoate
MOLECULAR FORMULA: C10H17NO3
MOLECULAR WEIGHT: 199.24688
SMILES: CCOC(=O)CN1CCCCCC1=O
Structure:
CAS RN: 766-44-9
CAS Name: 3-hydroxy-1H-pyrimidine-2,4-dione
OPENEYE Name: 3-hydroxy-1H-pyrimidine-2,4-dione
IUPAC Name: 3-hydroxy-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 3-oxidanyl-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C4H4N2O3
MOLECULAR WEIGHT: 128.08616
SMILES: C1=CNC(=O)N(C1=O)O
Structure:
CAS RN: 63452-62-0
CAS Name: 5-tert-butyl-2-methylbenzenesulfonyl chloride
OPENEYE Name: 5-tert-butyl-2-methyl-benzenesulfonyl chloride
IUPAC Name: 5-tert-butyl-2-methylbenzenesulfonyl chloride
SYSTEMATIC NAME: 5-tert-butyl-2-methyl-benzenesulfonyl chloride
MOLECULAR FORMULA: C11H15ClO2S
MOLECULAR WEIGHT: 246.7536
SMILES: CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)Cl
Structure:
CAS RN: 32093-90-6
CAS Name: 1-(2-oxazolyl)-3-propylthiourea
OPENEYE Name: 1-oxazol-2-yl-3-propyl-thiourea
IUPAC Name: 1-(1,3-oxazol-2-yl)-3-propylthiourea
SYSTEMATIC NAME: 1-(1,3-oxazol-2-yl)-3-propyl-thiourea
MOLECULAR FORMULA: C7H11N3OS
MOLECULAR WEIGHT: 185.24674
SMILES: CCCNC(=S)NC1=NC=CO1
Structure:
CAS RN: 90950-44-0
CAS Name: 4-(4-piperidinyl)butanoic acid
OPENEYE Name: 4-(4-piperidyl)butanoic acid
IUPAC Name: 4-piperidin-4-ylbutanoic acid
SYSTEMATIC NAME: 4-piperidin-4-ylbutanoic acid
MOLECULAR FORMULA: C9H17NO2
MOLECULAR WEIGHT: 171.23678
SMILES: C1CNCCC1CCCC(=O)O
Structure:
CAS RN: 2039-96-5
CAS Name: sodium 3-trimethylsilyl-1-propanesulfonate
OPENEYE Name: sodium 3-trimethylsilylpropane-1-sulfonate
IUPAC Name: sodium 3-trimethylsilylpropane-1-sulfonate
SYSTEMATIC NAME: sodium 3-trimethylsilylpropane-1-sulfonate
MOLECULAR FORMULA: C6H15NaO3SSi
MOLECULAR WEIGHT: 218.32177
SMILES: C[Si](C)(C)CCCS(=O)(=O)[O-].[Na+]
Structure:
CAS RN: 5708-79-2
CAS Name: 4-[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)-hydroxymethylidene]-4,5-dioxo-2-pyrrolidinyl]benzoic acid methyl ester
OPENEYE Name: methyl 4-[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)-hydroxy-methylene]-4,5-dioxo-pyrrolidin-2-yl]benzoate
IUPAC Name: methyl 4-[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-2-yl]benzoate
SYSTEMATIC NAME: methyl 4-[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)-oxidanyl-methylidene]-4,5-bis(oxidanylidene)pyrrolidin-2-yl]benzoate
MOLECULAR FORMULA: C28H21FN2O5S
MOLECULAR WEIGHT: 516.540143
SMILES: CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C4=CC=C(C=C4)F)O)C(=O)C3=O)C5=CC=C(C=C5)C(=O)OC)C
Structure:
CAS RN: 598-02-7
CAS Name: diethyl phosphate
OPENEYE Name: diethyl phosphate
IUPAC Name: diethyl phosphate
SYSTEMATIC NAME: diethyl phosphate
MOLECULAR FORMULA: C4H10O4P-
MOLECULAR WEIGHT: 153.093561
SMILES: CCOP(=O)([O-])OCC
Structure:
CAS RN: 7501-77-1
CAS Name: 9-propan-2-yl-8-sulfanylidene-3,7-dihydropurine-2,6-dione
OPENEYE Name: 9-isopropyl-8-thioxo-3,7-dihydropurine-2,6-dione
IUPAC Name: 9-propan-2-yl-8-sulfanylidene-3,7-dihydropurine-2,6-dione
SYSTEMATIC NAME: 9-propan-2-yl-8-sulfanylidene-3,7-dihydropurine-2,6-dione
MOLECULAR FORMULA: C8H10N4O2S
MOLECULAR WEIGHT: 226.2556
SMILES: CC(C)N1C2=C(C(=O)NC(=O)N2)NC1=S
Structure:
CAS RN: 2476-54-2
CAS Name: 8-sulfanylidene-7,9-dihydro-3H-purine-2,6-dione
OPENEYE Name: 8-thioxo-7,9-dihydro-3H-purine-2,6-dione
IUPAC Name: 8-sulfanylidene-7,9-dihydro-3H-purine-2,6-dione
SYSTEMATIC NAME: 8-sulfanylidene-7,9-dihydro-3H-purine-2,6-dione
MOLECULAR FORMULA: C5H4N4O2S
MOLECULAR WEIGHT: 184.17586
SMILES: C12=C(NC(=O)NC1=O)NC(=S)N2
Structure:
CAS RN: 79642-99-2
CAS Name: 5-[[1-[[1-[[1-[(4-methoxy-2-naphthalenyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
OPENEYE Name: 5-[[2-[[2-[[1-benzyl-2-[(4-methoxy-2-naphthyl)amino]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
IUPAC Name: 5-[[1-[[1-[[1-[(4-methoxynaphthalen-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
SYSTEMATIC NAME: 5-[[1-[[1-[[1-[(4-methoxynaphthalen-2-yl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C31H36N4O7
MOLECULAR WEIGHT: 576.64014
SMILES: CC(C(=O)NC(C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC2=CC3=CC=CC=C3C(=C2)OC)NC(=O)CCCC(=O)O
Structure:
CAS RN: 299165-45-0
CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylhydrazine
OPENEYE Name: 2,3-dihydro-1,4-benzodioxin-6-ylhydrazine
IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylhydrazine
SYSTEMATIC NAME: 2,3-dihydro-1,4-benzodioxin-6-yldiazane
MOLECULAR FORMULA: C8H10N2O2
MOLECULAR WEIGHT: 166.1772
SMILES: C1COC2=C(O1)C=CC(=C2)NN
Structure:
CAS RN: 75224-72-5
CAS Name: [(6-phenyl-5-imidazo[2,1-b]thiazolyl)methylideneamino]thiourea
OPENEYE Name: [(6-phenylimidazo[2,1-b]thiazol-5-yl)methyleneamino]thiourea
IUPAC Name: [(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiourea
SYSTEMATIC NAME: 1-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiourea
MOLECULAR FORMULA: C13H11N5S2
MOLECULAR WEIGHT: 301.38994
SMILES: C1=CC=C(C=C1)C2=C(N3C=CSC3=N2)C=NNC(=S)N
Structure:
CAS RN: 53666-92-5
CAS Name: 4-nitro-1,2-dihydropyrazol-3-one
OPENEYE Name: 4-nitro-1,2-dihydropyrazol-3-one
IUPAC Name: 4-nitro-1,2-dihydropyrazol-3-one
SYSTEMATIC NAME: 4-nitro-1,2-dihydropyrazol-3-one
MOLECULAR FORMULA: C3H3N3O3
MOLECULAR WEIGHT: 129.07422
SMILES: C1=C(C(=O)NN1)[N+](=O)[O-]
Structure:
CAS RN: 19083-26-2
CAS Name: acetic acid [4-acetyloxy-2-[bis(3,5-dimethylphenoxy)phosphoryloxymethyl]-5-(6-sulfanylidene-3H-purin-9-yl)-3-oxolanyl] ester
OPENEYE Name: [4-acetoxy-2-[bis(3,5-dimethylphenoxy)phosphoryloxymethyl]-5-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-3-yl] acetate
IUPAC Name: [4-acetyloxy-2-[bis(3,5-dimethylphenoxy)phosphoryloxymethyl]-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] acetate
SYSTEMATIC NAME: [4-acetyloxy-2-[bis(3,5-dimethylphenoxy)phosphoryloxymethyl]-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] ethanoate
MOLECULAR FORMULA: C30H33N4O9PS
MOLECULAR WEIGHT: 656.643181
SMILES: CC1=CC(=CC(=C1)OP(=O)(OCC2C(C(C(O2)N3C=NC4=C3NC=NC4=S)OC(=O)C)OC(=O)C)OC5=CC(=CC(=C5)C)C)C
Structure:
CAS RN: 652-18-6
CAS Name: 2,3,5,6-tetrafluorobenzoate
OPENEYE Name: 2,3,5,6-tetrafluorobenzoate
IUPAC Name: 2,3,5,6-tetrafluorobenzoate
SYSTEMATIC NAME: 2,3,5,6-tetrakis(fluoranyl)benzoate
MOLECULAR FORMULA: C7HF4O2-
MOLECULAR WEIGHT: 193.075253
SMILES: C1=C(C(=C(C(=C1F)F)C(=O)[O-])F)F
Structure:
CAS RN: 93003-68-0
CAS Name: N-[4-[(carbamothioylhydrazinylidene)methyl]-2-thiazolyl]-N-phenylacetamide
OPENEYE Name: N-[4-[(carbamothioylhydrazono)methyl]thiazol-2-yl]-N-phenyl-acetamide
IUPAC Name: N-[4-[(carbamothioylhydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SYSTEMATIC NAME: N-[4-[(carbamothioylhydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-phenyl-ethanamide
MOLECULAR FORMULA: C13H13N5OS2
MOLECULAR WEIGHT: 319.40522
SMILES: CC(=O)N(C1=CC=CC=C1)C2=NC(=CS2)C=NNC(=S)N
Structure:
CAS RN: 30695-44-4
CAS Name: 3-(4-fluorophenyl)-5-methyl-2-sulfanylidene-1,3-diazinan-4-one
OPENEYE Name: 3-(4-fluorophenyl)-5-methyl-2-thioxo-hexahydropyrimidin-4-one
IUPAC Name: 3-(4-fluorophenyl)-5-methyl-2-sulfanylidene-1,3-diazinan-4-one
SYSTEMATIC NAME: 3-(4-fluorophenyl)-5-methyl-2-sulfanylidene-1,3-diazinan-4-one
MOLECULAR FORMULA: C11H11FN2OS
MOLECULAR WEIGHT: 238.281243
SMILES: CC1CNC(=S)N(C1=O)C2=CC=C(C=C2)F
Structure:
CAS RN: 594194-16-8
CAS Name: [4-(1,2,4-triazol-4-yl)phenyl]hydrazine
OPENEYE Name: [4-(1,2,4-triazol-4-yl)phenyl]hydrazine
IUPAC Name: [4-(1,2,4-triazol-4-yl)phenyl]hydrazine
SYSTEMATIC NAME: [4-(1,2,4-triazol-4-yl)phenyl]diazane
MOLECULAR FORMULA: C8H9N5
MOLECULAR WEIGHT: 175.19056
SMILES: C1=CC(=CC=C1NN)N2C=NN=C2
Structure:
CAS RN: 1158-17-4
CAS Name: 2-(hydroxymethyl)-6-[(2-nitrophenyl)thio]oxane-3,4,5-triol
OPENEYE Name: 2-(hydroxymethyl)-6-(2-nitrophenyl)sulfanyl-tetrahydropyran-3,4,5-triol
IUPAC Name: 2-(hydroxymethyl)-6-(2-nitrophenyl)sulfanyloxane-3,4,5-triol
SYSTEMATIC NAME: 2-(hydroxymethyl)-6-(2-nitrophenyl)sulfanyl-oxane-3,4,5-triol
MOLECULAR FORMULA: C12H15NO7S
MOLECULAR WEIGHT: 317.315
SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])SC2C(C(C(C(O2)CO)O)O)O
Structure:
CAS RN: 35872-46-9
CAS Name: 4-(2,3-dimethylphenyl)azo-3,5-dimethyl-1-pyrazolecarbothioamide
OPENEYE Name: 4-(2,3-dimethylphenyl)azo-3,5-dimethyl-pyrazole-1-carbothioamide
IUPAC Name: 4-[(2,3-dimethylphenyl)diazenyl]-3,5-dimethylpyrazole-1-carbothioamide
SYSTEMATIC NAME: 4-[(2,3-dimethylphenyl)diazenyl]-3,5-dimethyl-pyrazole-1-carbothioamide
MOLECULAR FORMULA: C14H17N5S
MOLECULAR WEIGHT: 287.38328
SMILES: CC1=C(C(=CC=C1)N=NC2=C(N(N=C2C)C(=S)N)C)C
Structure:
CAS RN: 5536-91-4
CAS Name: N-[(2-hydroxy-4-nitroanilino)-sulfanylidenemethyl]-4-methoxybenzamide
OPENEYE Name: N-[(2-hydroxy-4-nitro-phenyl)carbamothioyl]-4-methoxy-benzamide
IUPAC Name: N-[(2-hydroxy-4-nitrophenyl)carbamothioyl]-4-methoxybenzamide
SYSTEMATIC NAME: 4-methoxy-N-[(4-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide
MOLECULAR FORMULA: C15H13N3O5S
MOLECULAR WEIGHT: 347.34582
SMILES: COC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])O
Structure:
CAS RN: 5393-24-8
CAS Name: pyridine-2,6-dicarbothioamide
OPENEYE Name: pyridine-2,6-dicarbothioamide
IUPAC Name: pyridine-2,6-dicarbothioamide
SYSTEMATIC NAME: pyridine-2,6-dicarbothioamide
MOLECULAR FORMULA: C7H7N3S2
MOLECULAR WEIGHT: 197.28058
SMILES: C1=CC(=NC(=C1)C(=S)N)C(=S)N
Structure:
CAS RN: 6626-80-8
CAS Name: 2-(hydrazinecarbonyl)-3-nitrobenzoic acid
OPENEYE Name: 2-(hydrazinecarbonyl)-3-nitro-benzoic acid
IUPAC Name: 2-(hydrazinecarbonyl)-3-nitrobenzoic acid
SYSTEMATIC NAME: 2-(aminocarbamoyl)-3-nitro-benzoic acid
MOLECULAR FORMULA: C8H7N3O5
MOLECULAR WEIGHT: 225.15828
SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)NN)C(=O)O
Structure:
CAS RN: 588680-03-9
CAS Name: 2-(4-bromo-2-chlorophenoxy)acetohydrazide
OPENEYE Name: 2-(4-bromo-2-chloro-phenoxy)acetohydrazide
IUPAC Name: 2-(4-bromo-2-chlorophenoxy)acetohydrazide
SYSTEMATIC NAME: 2-(4-bromanyl-2-chloranyl-phenoxy)ethanehydrazide
MOLECULAR FORMULA: C8H8BrClN2O2
MOLECULAR WEIGHT: 279.51832
SMILES: C1=CC(=C(C=C1Br)Cl)OCC(=O)NN
Structure:
CAS RN: 22814-94-4
CAS Name: 1-anilino-3-(4-methylphenyl)thiourea
OPENEYE Name: 1-anilino-3-(p-tolyl)thiourea
IUPAC Name: 1-anilino-3-(4-methylphenyl)thiourea
SYSTEMATIC NAME: 1-(4-methylphenyl)-3-phenylazanyl-thiourea
MOLECULAR FORMULA: C14H15N3S
MOLECULAR WEIGHT: 257.354
SMILES: CC1=CC=C(C=C1)NC(=S)NNC2=CC=CC=C2
Structure:
CAS RN: 19550-58-4
CAS Name: 2,5-dimethylhexanedioic acid dimethyl ester
OPENEYE Name: dimethyl 2,5-dimethylhexanedioate
IUPAC Name: dimethyl 2,5-dimethylhexanedioate
SYSTEMATIC NAME: dimethyl 2,5-dimethylhexanedioate
MOLECULAR FORMULA: C10H18O4
MOLECULAR WEIGHT: 202.24752
SMILES: CC(CCC(C)C(=O)OC)C(=O)OC
Structure:
CAS RN: 86620-62-4
CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)benzoate
OPENEYE Name: 4-(4-methylpiperazin-4-ium-1-yl)benzoate
IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)benzoate
SYSTEMATIC NAME: 4-(4-methylpiperazin-4-ium-1-yl)benzoate
MOLECULAR FORMULA: C12H16N2O2
MOLECULAR WEIGHT: 220.26764
SMILES: C[NH+]1CCN(CC1)C2=CC=C(C=C2)C(=O)[O-]
Structure:
CAS RN: 162848-16-0
CAS Name: 4-(1,2,4-triazol-1-yl)benzoate
OPENEYE Name: 4-(1,2,4-triazol-1-yl)benzoate
IUPAC Name: 4-(1,2,4-triazol-1-yl)benzoate
SYSTEMATIC NAME: 4-(1,2,4-triazol-1-yl)benzoate
MOLECULAR FORMULA: C9H6N3O2-
MOLECULAR WEIGHT: 188.16284
SMILES: C1=CC(=CC=C1C(=O)[O-])N2C=NC=N2
Structure:
CAS RN: 16209-00-0
CAS Name: 4-(1-pyrazolyl)benzoate
OPENEYE Name: 4-pyrazol-1-ylbenzoate
IUPAC Name: 4-pyrazol-1-ylbenzoate
SYSTEMATIC NAME: 4-pyrazol-1-ylbenzoate
MOLECULAR FORMULA: C10H7N2O2-
MOLECULAR WEIGHT: 187.17478
SMILES: C1=CN(N=C1)C2=CC=C(C=C2)C(=O)[O-]
Structure:
No comments:
Post a Comment