CAS RN: 5439-69-0
CAS Name: N-cyclohexylcarbamodithioic acid [(cyclohexylamino)-sulfanylidenemethyl] ester
OPENEYE Name: cyclohexylcarbamothioyl N-cyclohexylcarbamodithioate
IUPAC Name: cyclohexylcarbamothioyl N-cyclohexylcarbamodithioate
SYSTEMATIC NAME: cyclohexylcarbamothioyl N-cyclohexylcarbamodithioate
MOLECULAR FORMULA: C14H24N2S3
MOLECULAR WEIGHT: 316.54876
SMILES: C1CCC(CC1)NC(=S)SC(=S)NC2CCCCC2
Structure:
CAS RN: 25732-26-7
CAS Name: 6-nitroso-7H-purine
OPENEYE Name: 6-nitroso-7H-purine
IUPAC Name: 6-nitroso-7H-purine
SYSTEMATIC NAME: 6-nitroso-7H-purine
MOLECULAR FORMULA: C5H3N5O
MOLECULAR WEIGHT: 149.11022
SMILES: C1=NC2=C(N1)C(=NC=N2)N=O
Structure:
CAS RN: 32403-18-2
CAS Name: 1-(1-adamantyl)-3-[(3,5-dichlorophenyl)methylideneamino]thiourea
OPENEYE Name: 1-(1-adamantyl)-3-[(3,5-dichlorophenyl)methyleneamino]thiourea
IUPAC Name: 1-(1-adamantyl)-3-[(3,5-dichlorophenyl)methylideneamino]thiourea
SYSTEMATIC NAME: 1-(1-adamantyl)-3-[[3,5-bis(chloranyl)phenyl]methylideneamino]thiourea
MOLECULAR FORMULA: C18H21Cl2N3S
MOLECULAR WEIGHT: 382.35044
SMILES: C1C2CC3CC1CC(C2)(C3)NC(=S)NN=CC4=CC(=CC(=C4)Cl)Cl
Structure:
CAS RN: 124676-19-3
CAS Name: 2-(1-benzotriazolyl)-2-(phenylmethoxycarbonylamino)acetic acid
OPENEYE Name: 2-(benzotriazol-1-yl)-2-(benzyloxycarbonylamino)acetic acid
IUPAC Name: 2-(benzotriazol-1-yl)-2-(phenylmethoxycarbonylamino)acetic acid
SYSTEMATIC NAME: 2-(benzotriazol-1-yl)-2-(phenylmethoxycarbonylamino)ethanoic acid
MOLECULAR FORMULA: C16H14N4O4
MOLECULAR WEIGHT: 326.30676
SMILES: C1=CC=C(C=C1)COC(=O)NC(C(=O)O)N2C3=CC=CC=C3N=N2
Structure:
CAS RN: 51934-29-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H25N11O5
MOLECULAR WEIGHT: 523.5046
SMILES: CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NCC2=NC3=C(N=C(N4C3=NN=N4)N)N=N2
Structure:
CAS RN: 41552-56-1
CAS Name: 4-[2-(1-ethenyl-5-nitro-2-imidazolyl)ethenyl]benzenecarbothioamide
OPENEYE Name: 4-[2-(5-nitro-1-vinyl-imidazol-2-yl)vinyl]benzenecarbothioamide
IUPAC Name: 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzenecarbothioamide
SYSTEMATIC NAME: 4-[2-(1-ethenyl-5-nitro-imidazol-2-yl)ethenyl]benzenecarbothioamide
MOLECULAR FORMULA: C14H12N4O2S
MOLECULAR WEIGHT: 300.33568
SMILES: C=CN1C(=CN=C1C=CC2=CC=C(C=C2)C(=S)N)[N+](=O)[O-]
Structure:
CAS RN: 74177-93-8
CAS Name: 1-hexyl-3-propylthiourea
OPENEYE Name: 1-hexyl-3-propyl-thiourea
IUPAC Name: 1-hexyl-3-propylthiourea
SYSTEMATIC NAME: 1-hexyl-3-propyl-thiourea
MOLECULAR FORMULA: C10H22N2S
MOLECULAR WEIGHT: 202.36008
SMILES: CCCCCCNC(=S)NCCC
Structure:
CAS RN: 52578-66-2
CAS Name: N-(4-azidophenyl)acetamide
OPENEYE Name: N-(4-azidophenyl)acetamide
IUPAC Name: N-(4-azidophenyl)acetamide
SYSTEMATIC NAME: N-(4-azidophenyl)ethanamide
MOLECULAR FORMULA: C8H8N4O
MOLECULAR WEIGHT: 176.17532
SMILES: CC(=O)NC1=CC=C(C=C1)N=[N+]=[N-]
Structure:
CAS RN: 2501-13-5
CAS Name: 2,8-dihydroxy-1,5-dinitroanthracene-9,10-dione
OPENEYE Name: 2,8-dihydroxy-1,5-dinitro-anthracene-9,10-dione
IUPAC Name: 2,8-dihydroxy-1,5-dinitroanthracene-9,10-dione
SYSTEMATIC NAME: 1,5-dinitro-2,8-bis(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C14H6N2O8
MOLECULAR WEIGHT: 330.20604
SMILES: C1=CC(=C(C2=C1C(=O)C3=C(C=CC(=C3C2=O)O)[N+](=O)[O-])[N+](=O)[O-])O
Structure:
CAS RN: 22529-10-8
CAS Name: 2-(methylamino)-3,7-dihydropurine-6-thione
OPENEYE Name: 2-(methylamino)-3,7-dihydropurine-6-thione
IUPAC Name: 2-(methylamino)-3,7-dihydropurine-6-thione
SYSTEMATIC NAME: 2-(methylamino)-3,7-dihydropurine-6-thione
MOLECULAR FORMULA: C6H7N5S
MOLECULAR WEIGHT: 181.21828
SMILES: CNC1=NC(=S)C2=C(N1)N=CN2
Structure:
CAS RN: 16090-33-8
CAS Name: 2-nitrobenzene-1,4-diol
OPENEYE Name: 2-nitrobenzene-1,4-diol
IUPAC Name: 2-nitrobenzene-1,4-diol
SYSTEMATIC NAME: 2-nitrobenzene-1,4-diol
MOLECULAR FORMULA: C6H5NO4
MOLECULAR WEIGHT: 155.1082
SMILES: C1=CC(=C(C=C1O)[N+](=O)[O-])O
Structure:
CAS RN: 35437-95-7
CAS Name: [[3-[(3-aminophenyl)methoxy]-2-pyridinyl]methylideneamino]thiourea
OPENEYE Name: [[3-[(3-aminophenyl)methoxy]-2-pyridyl]methyleneamino]thiourea
IUPAC Name: [[3-[(3-aminophenyl)methoxy]pyridin-2-yl]methylideneamino]thiourea
SYSTEMATIC NAME: 1-[[3-[(3-aminophenyl)methoxy]pyridin-2-yl]methylideneamino]thiourea
MOLECULAR FORMULA: C14H15N5OS
MOLECULAR WEIGHT: 301.3668
SMILES: C1=CC(=CC(=C1)N)COC2=C(N=CC=C2)C=NNC(=S)N
Structure:
CAS RN: 1006-12-8
CAS Name: 3-methyl-7H-purine-6-thione
OPENEYE Name: 3-methyl-7H-purine-6-thione
IUPAC Name: 3-methyl-7H-purine-6-thione
SYSTEMATIC NAME: 3-methyl-7H-purine-6-thione
MOLECULAR FORMULA: C6H6N4S
MOLECULAR WEIGHT: 166.20364
SMILES: CN1C=NC(=S)C2=C1N=CN2
Structure:
CAS RN: 331-37-3
CAS Name: 1-prop-2-enyl-3-[3-(trifluoromethyl)phenyl]thiourea
OPENEYE Name: 1-allyl-3-[3-(trifluoromethyl)phenyl]thiourea
IUPAC Name: 1-prop-2-enyl-3-[3-(trifluoromethyl)phenyl]thiourea
SYSTEMATIC NAME: 1-prop-2-enyl-3-[3-(trifluoromethyl)phenyl]thiourea
MOLECULAR FORMULA: C11H11F3N2S
MOLECULAR WEIGHT: 260.27865
SMILES: C=CCNC(=S)NC1=CC=CC(=C1)C(F)(F)F
Structure:
CAS RN: 23126-85-4
CAS Name: 9-hexyl-3H-purine-6-thione
OPENEYE Name: 9-hexyl-3H-purine-6-thione
IUPAC Name: 9-hexyl-3H-purine-6-thione
SYSTEMATIC NAME: 9-hexyl-3H-purine-6-thione
MOLECULAR FORMULA: C11H16N4S
MOLECULAR WEIGHT: 236.33654
SMILES: CCCCCCN1C=NC2=C1NC=NC2=S
Structure:
CAS RN: 25913-40-0
CAS Name: 4-(2,6-dimethylphenyl)azo-3-methyl-5-phenyl-1-pyrazolecarbothioamide
OPENEYE Name: 4-(2,6-dimethylphenyl)azo-3-methyl-5-phenyl-pyrazole-1-carbothioamide
IUPAC Name: 4-[(2,6-dimethylphenyl)diazenyl]-3-methyl-5-phenylpyrazole-1-carbothioamide
SYSTEMATIC NAME: 4-[(2,6-dimethylphenyl)diazenyl]-3-methyl-5-phenyl-pyrazole-1-carbothioamide
MOLECULAR FORMULA: C19H19N5S
MOLECULAR WEIGHT: 349.45266
SMILES: CC1=C(C(=CC=C1)C)N=NC2=C(N(N=C2C)C(=S)N)C3=CC=CC=C3
Structure:
CAS RN: 96-67-3
CAS Name: 3-amino-2-hydroxy-5-nitrobenzenesulfonic acid
OPENEYE Name: 3-amino-2-hydroxy-5-nitro-benzenesulfonic acid
IUPAC Name: 3-amino-2-hydroxy-5-nitrobenzenesulfonic acid
SYSTEMATIC NAME: 3-azanyl-5-nitro-2-oxidanyl-benzenesulfonic acid
MOLECULAR FORMULA: C6H6N2O6S
MOLECULAR WEIGHT: 234.18664
SMILES: C1=C(C=C(C(=C1S(=O)(=O)O)O)N)[N+](=O)[O-]
Structure:
CAS RN: 861511-93-5
CAS Name: 3-amino-2-hydroxy-5-nitrobenzenesulfonic acid
OPENEYE Name: 3-amino-2-hydroxy-5-nitro-benzenesulfonic acid
IUPAC Name: 3-amino-2-hydroxy-5-nitrobenzenesulfonic acid
SYSTEMATIC NAME: 3-azanyl-5-nitro-2-oxidanyl-benzenesulfonic acid
MOLECULAR FORMULA: C6H6N2O6S
MOLECULAR WEIGHT: 234.18664
SMILES: C1=C(C=C(C(=C1S(=O)(=O)O)O)N)[N+](=O)[O-]
Structure:
CAS RN: 37432-21-6
CAS Name: N,N-dimethyl-7H-purin-2-amine
OPENEYE Name: N,N-dimethyl-7H-purin-2-amine
IUPAC Name: N,N-dimethyl-7H-purin-2-amine
SYSTEMATIC NAME: N,N-dimethyl-7H-purin-2-amine
MOLECULAR FORMULA: C7H9N5
MOLECULAR WEIGHT: 163.17986
SMILES: CN(C)C1=NC=C2C(=N1)N=CN2
Structure:
CAS RN: 1711-24-6
CAS Name: 4-(2-hydroxyethoxy)benzoic acid
OPENEYE Name: 4-(2-hydroxyethoxy)benzoic acid
IUPAC Name: 4-(2-hydroxyethoxy)benzoic acid
SYSTEMATIC NAME: 4-(2-hydroxyethyloxy)benzoic acid
MOLECULAR FORMULA: C9H10O4
MOLECULAR WEIGHT: 182.1733
SMILES: C1=CC(=CC=C1C(=O)O)OCCO
Structure:
CAS RN: 7403-33-0
CAS Name: 3,4-dihydro-1H-pyrimido[4,5-d]pyrimidine-2-thione
OPENEYE Name: 3,4-dihydro-1H-pyrimido[4,5-d]pyrimidine-2-thione
IUPAC Name: 3,4-dihydro-1H-pyrimido[4,5-d]pyrimidine-2-thione
SYSTEMATIC NAME: 3,4-dihydro-1H-pyrimido[4,5-d]pyrimidine-2-thione
MOLECULAR FORMULA: C6H6N4S
MOLECULAR WEIGHT: 166.20364
SMILES: C1C2=CN=CN=C2NC(=S)N1
Structure:
CAS RN: 69123-50-8
CAS Name: 4-[[oxo-(2H-tetrazol-5-ylamino)methyl]amino]benzoic acid ethyl ester
OPENEYE Name: ethyl 4-(2H-tetrazol-5-ylcarbamoylamino)benzoate
IUPAC Name: ethyl 4-(2H-tetrazol-5-ylcarbamoylamino)benzoate
SYSTEMATIC NAME: ethyl 4-(2H-1,2,3,4-tetrazol-5-ylcarbamoylamino)benzoate
MOLECULAR FORMULA: C11H12N6O3
MOLECULAR WEIGHT: 276.25138
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=NNN=N2
Structure:
CAS RN: 6945-61-5
CAS Name: 8-azido-6-methoxy-2-phenyl-7-(phenylmethylthio)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin
OPENEYE Name: 8-azido-7-benzylsulfanyl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
IUPAC Name: 8-azido-7-benzylsulfanyl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
SYSTEMATIC NAME: 8-azido-6-methoxy-2-phenyl-7-(phenylmethylsulfanyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
MOLECULAR FORMULA: C21H23N3O4S
MOLECULAR WEIGHT: 413.49002
SMILES: COC1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)N=[N+]=[N-])SCC4=CC=CC=C4
Structure:
CAS RN: 90614-49-6
CAS Name: 2-[[[1-(2-amino-3-methyl-1-oxobutyl)-2-pyrrolidinyl]-oxomethyl]amino]-4-methylpentanoic acid
OPENEYE Name: 2-[[1-(2-amino-3-methyl-butanoyl)pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoic acid
IUPAC Name: 2-[[1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid
SYSTEMATIC NAME: 2-[[1-(2-azanyl-3-methyl-butanoyl)pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoic acid
MOLECULAR FORMULA: C16H29N3O4
MOLECULAR WEIGHT: 327.41916
SMILES: CC(C)CC(C(=O)O)NC(=O)C1CCCN1C(=O)C(C(C)C)N
Structure:
CAS RN: 29147-32-8
CAS Name: 4-(2-ethoxyphenyl)azo-3,5-dimethyl-1-pyrazolecarbothioamide
OPENEYE Name: 4-(2-ethoxyphenyl)azo-3,5-dimethyl-pyrazole-1-carbothioamide
IUPAC Name: 4-[(2-ethoxyphenyl)diazenyl]-3,5-dimethylpyrazole-1-carbothioamide
SYSTEMATIC NAME: 4-[(2-ethoxyphenyl)diazenyl]-3,5-dimethyl-pyrazole-1-carbothioamide
MOLECULAR FORMULA: C14H17N5OS
MOLECULAR WEIGHT: 303.38268
SMILES: CCOC1=CC=CC=C1N=NC2=C(N(N=C2C)C(=S)N)C
Structure:
CAS RN: 37124-71-3
CAS Name: 1-methyl-3-[[3-[[methylamino(sulfanylidene)methyl]hydrazo]-2-[(4-nitrophenyl)methyl]-1,3-dioxopropyl]amino]thiourea
OPENEYE Name: 1-methyl-3-[[3-[2-(methylcarbamothioyl)hydrazino]-2-[(4-nitrophenyl)methyl]-3-oxo-propanoyl]amino]thiourea
IUPAC Name: 1-methyl-3-[[3-[2-(methylcarbamothioyl)hydrazinyl]-2-[(4-nitrophenyl)methyl]-3-oxopropanoyl]amino]thiourea
SYSTEMATIC NAME: 1-methyl-3-[[3-[2-(methylcarbamothioyl)hydrazinyl]-2-[(4-nitrophenyl)methyl]-3-oxidanylidene-propanoyl]amino]thiourea
MOLECULAR FORMULA: C14H19N7O4S2
MOLECULAR WEIGHT: 413.47516
SMILES: CNC(=S)NNC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)NNC(=S)NC
Structure:
CAS RN: 65331-37-5
CAS Name: N-phenylcarbamodithioic acid (trichloromethylthio) ester
OPENEYE Name: trichloromethylsulfanyl N-phenylcarbamodithioate
IUPAC Name: trichloromethylsulfanyl N-phenylcarbamodithioate
SYSTEMATIC NAME: trichloromethylsulfanyl N-phenylcarbamodithioate
MOLECULAR FORMULA: C8H6Cl3NS3
MOLECULAR WEIGHT: 318.69394
SMILES: C1=CC=C(C=C1)NC(=S)SSC(Cl)(Cl)Cl
Structure:
CAS RN: 17225-10-4
CAS Name: 2-amino-5-[3-[4-(dimethylamino)anilino]propyl]-6-methyl-1H-pyrimidine-4-thione
OPENEYE Name: 2-amino-5-[3-[4-(dimethylamino)anilino]propyl]-6-methyl-1H-pyrimidine-4-thione
IUPAC Name: 2-amino-5-[3-[4-(dimethylamino)anilino]propyl]-6-methyl-1H-pyrimidine-4-thione
SYSTEMATIC NAME: 2-azanyl-5-[3-[[4-(dimethylamino)phenyl]amino]propyl]-6-methyl-1H-pyrimidine-4-thione
MOLECULAR FORMULA: C16H23N5S
MOLECULAR WEIGHT: 317.45232
SMILES: CC1=C(C(=S)N=C(N1)N)CCCNC2=CC=C(C=C2)N(C)C
Structure:
CAS RN: 32331-13-8
CAS Name: 6-(hexylthio)-5-sulfanylidene-2H-1,2,4-triazin-3-one
OPENEYE Name: 6-hexylsulfanyl-5-thioxo-2H-1,2,4-triazin-3-one
IUPAC Name: 6-hexylsulfanyl-5-sulfanylidene-2H-1,2,4-triazin-3-one
SYSTEMATIC NAME: 6-hexylsulfanyl-5-sulfanylidene-2H-1,2,4-triazin-3-one
MOLECULAR FORMULA: C9H15N3OS2
MOLECULAR WEIGHT: 245.3649
SMILES: CCCCCCSC1=NNC(=O)NC1=S
Structure:
CAS RN: 58913-50-1
CAS Name: 4-(4-methoxyanilino)-2,2-dimethyl-1,3-dihydropyridine-6-thione
OPENEYE Name: 4-(4-methoxyanilino)-2,2-dimethyl-1,3-dihydropyridine-6-thione
IUPAC Name: 4-(4-methoxyanilino)-2,2-dimethyl-1,3-dihydropyridine-6-thione
SYSTEMATIC NAME: 4-[(4-methoxyphenyl)amino]-2,2-dimethyl-1,3-dihydropyridine-6-thione
MOLECULAR FORMULA: C14H18N2OS
MOLECULAR WEIGHT: 262.37052
SMILES: CC1(CC(=CC(=S)N1)NC2=CC=C(C=C2)OC)C
Structure:
CAS RN: 66646-00-2
CAS Name: N-[sulfanylidene-(thiophen-2-ylamino)methyl]carbamic acid ethyl ester
OPENEYE Name: ethyl N-(2-thienylcarbamothioyl)carbamate
IUPAC Name: ethyl N-(thiophen-2-ylcarbamothioyl)carbamate
SYSTEMATIC NAME: ethyl N-(thiophen-2-ylcarbamothioyl)carbamate
MOLECULAR FORMULA: C8H10N2O2S2
MOLECULAR WEIGHT: 230.3072
SMILES: CCOC(=O)NC(=S)NC1=CC=CS1
Structure:
CAS RN: 27702-30-3
CAS Name: N1,N4-bis[(4-chloro-3-nitrophenyl)methylideneamino]phthalazine-1,4-diamine
OPENEYE Name: N1,N4-bis[(4-chloro-3-nitro-phenyl)methyleneamino]phthalazine-1,4-diamine
IUPAC Name: 1-N,4-N-bis[(4-chloro-3-nitrophenyl)methylideneamino]phthalazine-1,4-diamine
SYSTEMATIC NAME: N1,N4-bis[(4-chloranyl-3-nitro-phenyl)methylideneamino]phthalazine-1,4-diamine
MOLECULAR FORMULA: C22H14Cl2N8O4
MOLECULAR WEIGHT: 525.30376
SMILES: C1=CC=C2C(=C1)C(=NN=C2NN=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-])NN=CC4=CC(=C(C=C4)Cl)[N+](=O)[O-]
Structure:
CAS RN: 58554-26-0
CAS Name: N-[(benzenecarbonothioylamino)-oxomethyl]-2-methylbenzamide
OPENEYE Name: N-(benzenecarbonothioylcarbamoyl)-2-methyl-benzamide
IUPAC Name: N-(benzenecarbonothioylcarbamoyl)-2-methylbenzamide
SYSTEMATIC NAME: N-(benzenecarbonothioylcarbamoyl)-2-methyl-benzamide
MOLECULAR FORMULA: C16H14N2O2S
MOLECULAR WEIGHT: 298.35956
SMILES: CC1=CC=CC=C1C(=O)NC(=O)NC(=S)C2=CC=CC=C2
Structure:
CAS RN: 64510-92-5
CAS Name: 4-[(4-methylphenyl)iminomethyl]benzenecarbothioamide
OPENEYE Name: 4-(p-tolyliminomethyl)benzenecarbothioamide
IUPAC Name: 4-[(4-methylphenyl)iminomethyl]benzenecarbothioamide
SYSTEMATIC NAME: 4-[(4-methylphenyl)iminomethyl]benzenecarbothioamide
MOLECULAR FORMULA: C15H14N2S
MOLECULAR WEIGHT: 254.35006
SMILES: CC1=CC=C(C=C1)N=CC2=CC=C(C=C2)C(=S)N
Structure:
CAS RN: 3298-76-8
CAS Name: 8-phenyl-3,7-dihydropurine-6-thione
OPENEYE Name: 8-phenyl-3,7-dihydropurine-6-thione
IUPAC Name: 8-phenyl-3,7-dihydropurine-6-thione
SYSTEMATIC NAME: 8-phenyl-3,7-dihydropurine-6-thione
MOLECULAR FORMULA: C11H8N4S
MOLECULAR WEIGHT: 228.27302
SMILES: C1=CC=C(C=C1)C2=NC3=C(N2)C(=S)N=CN3
Structure:
CAS RN: 56768-55-9
CAS Name: 4-[(4-hydroxyphenyl)sulfamoyl]benzenecarbothioamide
OPENEYE Name: 4-[(4-hydroxyphenyl)sulfamoyl]benzenecarbothioamide
IUPAC Name: 4-[(4-hydroxyphenyl)sulfamoyl]benzenecarbothioamide
SYSTEMATIC NAME: 4-[(4-hydroxyphenyl)sulfamoyl]benzenecarbothioamide
MOLECULAR FORMULA: C13H12N2O3S2
MOLECULAR WEIGHT: 308.37598
SMILES: C1=CC(=CC=C1C(=S)N)S(=O)(=O)NC2=CC=C(C=C2)O
Structure:
CAS RN: 25739-23-5
CAS Name: 4-(2-phenylethynyl)benzoic acid
OPENEYE Name: 4-(2-phenylethynyl)benzoic acid
IUPAC Name: 4-(2-phenylethynyl)benzoic acid
SYSTEMATIC NAME: 4-(2-phenylethynyl)benzoic acid
MOLECULAR FORMULA: C15H10O2
MOLECULAR WEIGHT: 222.2387
SMILES: C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)O
Structure:
CAS RN: 32403-51-3
CAS Name: 1-(1-adamantyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea
OPENEYE Name: 1-(1-adamantyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiourea
IUPAC Name: 1-(1-adamantyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea
SYSTEMATIC NAME: 1-(1-adamantyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea
MOLECULAR FORMULA: C19H22N4O4S
MOLECULAR WEIGHT: 402.46738
SMILES: C1C2CC3CC1CC(C2)(C3)NC(=S)NN=CC4=CC5=C(C=C4[N+](=O)[O-])OCO5
Structure:
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