CAS RN: 22686-42-6
CAS Name: 3-(1-carboxypropan-2-yldiselanyl)butanoic acid
OPENEYE Name: 3-[(2-carboxy-1-methyl-ethyl)diselanyl]butanoic acid
IUPAC Name: 3-(1-carboxypropan-2-yldiselanyl)butanoic acid
SYSTEMATIC NAME: 3-[(4-oxidanyl-4-oxidanylidene-butan-2-yl)diselanyl]butanoic acid
MOLECULAR FORMULA: C8H14O4Se2
MOLECULAR WEIGHT: 332.11436
SMILES: CC(CC(=O)O)[Se][Se]C(C)CC(=O)O
Structure:
CAS RN: 72517-80-7
CAS Name: 2-(1-carboxypropylthio)butanoic acid
OPENEYE Name: 2-(1-carboxypropylsulfanyl)butanoic acid
IUPAC Name: 2-(1-carboxypropylsulfanyl)butanoic acid
SYSTEMATIC NAME: 2-(1-oxidanyl-1-oxidanylidene-butan-2-yl)sulfanylbutanoic acid
MOLECULAR FORMULA: C8H14O4S
MOLECULAR WEIGHT: 206.25936
SMILES: CCC(C(=O)O)SC(CC)C(=O)O
Structure:
CAS RN: 3639-22-3
CAS Name: 2-hydroxy-2-propylpentanoic acid
OPENEYE Name: 2-hydroxy-2-propyl-pentanoic acid
IUPAC Name: 2-hydroxy-2-propylpentanoic acid
SYSTEMATIC NAME: 2-oxidanyl-2-propyl-pentanoic acid
MOLECULAR FORMULA: C8H16O3
MOLECULAR WEIGHT: 160.21084
SMILES: CCCC(CCC)(C(=O)O)O
Structure:
CAS RN: 13707-45-4
CAS Name: 4-chloro-N-(phenylmethylene)benzenesulfonamide
OPENEYE Name: N-benzylidene-4-chloro-benzenesulfonamide
IUPAC Name: N-benzylidene-4-chlorobenzenesulfonamide
SYSTEMATIC NAME: 4-chloranyl-N-(phenylmethylidene)benzenesulfonamide
MOLECULAR FORMULA: C13H10ClNO2S
MOLECULAR WEIGHT: 279.742
SMILES: C1=CC=C(C=C1)C=NS(=O)(=O)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 51661-14-4
CAS Name: N,N-dimethylcarbamodithioic acid (2-anilino-2-oxoethyl) ester
OPENEYE Name: (2-anilino-2-oxo-ethyl) N,N-dimethylcarbamodithioate
IUPAC Name: (2-anilino-2-oxoethyl) N,N-dimethylcarbamodithioate
SYSTEMATIC NAME: (2-oxidanylidene-2-phenylazanyl-ethyl) N,N-dimethylcarbamodithioate
MOLECULAR FORMULA: C11H14N2OS2
MOLECULAR WEIGHT: 254.37166
SMILES: CN(C)C(=S)SCC(=O)NC1=CC=CC=C1
Structure:
CAS RN: 27849-29-2
CAS Name: N,N-dimethylcarbamodithioic acid 2-chloroprop-2-enyl ester
OPENEYE Name: 2-chloroallyl N,N-dimethylcarbamodithioate
IUPAC Name: 2-chloroprop-2-enyl N,N-dimethylcarbamodithioate
SYSTEMATIC NAME: 2-chloranylprop-2-enyl N,N-dimethylcarbamodithioate
MOLECULAR FORMULA: C6H10ClNS2
MOLECULAR WEIGHT: 195.7333
SMILES: CN(C)C(=S)SCC(=C)Cl
Structure:
CAS RN: 14441-55-5
CAS Name: benzenecarbothioic acid S-[2-(diethylamino)ethyl] ester
OPENEYE Name: S-[2-(diethylamino)ethyl] benzenecarbothioate
IUPAC Name: S-[2-(diethylamino)ethyl] benzenecarbothioate
SYSTEMATIC NAME: S-[2-(diethylamino)ethyl] benzenecarbothioate
MOLECULAR FORMULA: C13H19NOS
MOLECULAR WEIGHT: 237.36106
SMILES: CCN(CC)CCSC(=O)C1=CC=CC=C1
Structure:
CAS RN: 22975-21-9
CAS Name: 2-(2-nitro-1-phenylethyl)propanedioic acid diethyl ester
OPENEYE Name: diethyl 2-(2-nitro-1-phenyl-ethyl)propanedioate
IUPAC Name: diethyl 2-(2-nitro-1-phenylethyl)propanedioate
SYSTEMATIC NAME: diethyl 2-(2-nitro-1-phenyl-ethyl)propanedioate
MOLECULAR FORMULA: C15H19NO6
MOLECULAR WEIGHT: 309.31446
SMILES: CCOC(=O)C(C(C[N+](=O)[O-])C1=CC=CC=C1)C(=O)OCC
Structure:
CAS RN: 30948-97-1
CAS Name: 2-hexyl-1,2,4-triazine-3,5-dione
OPENEYE Name: 2-hexyl-1,2,4-triazine-3,5-dione
IUPAC Name: 2-hexyl-1,2,4-triazine-3,5-dione
SYSTEMATIC NAME: 2-hexyl-1,2,4-triazine-3,5-dione
MOLECULAR FORMULA: C9H15N3O2
MOLECULAR WEIGHT: 197.2343
SMILES: CCCCCCN1C(=O)NC(=O)C=N1
Structure:
CAS RN: 39259-24-0
CAS Name: N-[amino(anilino)methylidene]carbamic acid methyl ester
OPENEYE Name: methyl N-[amino(anilino)methylene]carbamate
IUPAC Name: methyl N-[amino(anilino)methylidene]carbamate
SYSTEMATIC NAME: methyl N-[azanyl(phenylazanyl)methylidene]carbamate
MOLECULAR FORMULA: C9H11N3O2
MOLECULAR WEIGHT: 193.20254
SMILES: COC(=O)N=C(N)NC1=CC=CC=C1
Structure:
CAS RN: 78610-70-5
CAS Name: 2-oxo-1,3-dihydroindole-3-carboxaldehyde
OPENEYE Name: 2-oxoindoline-3-carbaldehyde
IUPAC Name: 2-oxo-1,3-dihydroindole-3-carbaldehyde
SYSTEMATIC NAME: 2-oxidanylidene-1,3-dihydroindole-3-carbaldehyde
MOLECULAR FORMULA: C9H7NO2
MOLECULAR WEIGHT: 161.15738
SMILES: C1=CC=C2C(=C1)C(C(=O)N2)C=O
Structure:
CAS RN: 52450-32-5
CAS Name: 2-oxo-4-phenyl-3-pyrrolidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-oxo-4-phenyl-pyrrolidine-3-carboxylate
IUPAC Name: ethyl 2-oxo-4-phenylpyrrolidine-3-carboxylate
SYSTEMATIC NAME: ethyl 2-oxidanylidene-4-phenyl-pyrrolidine-3-carboxylate
MOLECULAR FORMULA: C13H15NO3
MOLECULAR WEIGHT: 233.2631
SMILES: CCOC(=O)C1C(CNC1=O)C2=CC=CC=C2
Structure:
CAS RN: 20038-96-4
CAS Name: 1,1-dimethyl-3-phenyliminothiourea
OPENEYE Name: 1,1-dimethyl-3-phenylimino-thiourea
IUPAC Name: 1,1-dimethyl-3-phenyliminothiourea
SYSTEMATIC NAME: 1,1-dimethyl-3-phenylimino-thiourea
MOLECULAR FORMULA: C9H11N3S
MOLECULAR WEIGHT: 193.26874
SMILES: CN(C)C(=S)N=NC1=CC=CC=C1
Structure:
CAS RN: 5369-93-7
CAS Name: N-(phenylmethyl)-1H-1,2,4-triazol-5-amine
OPENEYE Name: N-benzyl-1H-1,2,4-triazol-5-amine
IUPAC Name: N-benzyl-1H-1,2,4-triazol-5-amine
SYSTEMATIC NAME: N-(phenylmethyl)-1H-1,2,4-triazol-5-amine
MOLECULAR FORMULA: C9H10N4
MOLECULAR WEIGHT: 174.2025
SMILES: C1=CC=C(C=C1)CNC2=NC=NN2
Structure:
CAS RN: 66386-22-9
CAS Name: 5-[(3,4-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
OPENEYE Name: 5-[(3,4-dimethoxyphenyl)methylene]hexahydropyrimidine-2,4,6-trione
IUPAC Name: 5-[(3,4-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-[(3,4-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C13H12N2O5
MOLECULAR WEIGHT: 276.24478
SMILES: COC1=C(C=C(C=C1)C=C2C(=O)NC(=O)NC2=O)OC
Structure:
CAS RN: 28665-07-8
CAS Name: N-(4-morpholinyl)-5-nitro-2-thiophenecarboxamide
OPENEYE Name: N-morpholino-5-nitro-thiophene-2-carboxamide
IUPAC Name: N-morpholin-4-yl-5-nitrothiophene-2-carboxamide
SYSTEMATIC NAME: N-morpholin-4-yl-5-nitro-thiophene-2-carboxamide
MOLECULAR FORMULA: C9H11N3O4S
MOLECULAR WEIGHT: 257.26634
SMILES: C1COCCN1NC(=O)C2=CC=C(S2)[N+](=O)[O-]
Structure:
CAS RN: 59866-04-5
CAS Name: 8-chlorotetrazolo[1,5-c]quinazoline
OPENEYE Name: 8-chlorotetrazolo[1,5-c]quinazoline
IUPAC Name: 8-chlorotetrazolo[1,5-c]quinazoline
SYSTEMATIC NAME: 8-chloranyl-[1,2,3,4]tetrazolo[1,5-c]quinazoline
MOLECULAR FORMULA: C8H4ClN5
MOLECULAR WEIGHT: 205.60386
SMILES: C1=CC2=C(C=C1Cl)N=CN3C2=NN=N3
Structure:
CAS RN: 62645-03-8
CAS Name: 4-(4-methyl-1-piperazinyl)tetrazolo[1,5-a]quinoxaline
OPENEYE Name: 4-(4-methylpiperazin-1-yl)tetrazolo[1,5-a]quinoxaline
IUPAC Name: 4-(4-methylpiperazin-1-yl)tetrazolo[1,5-a]quinoxaline
SYSTEMATIC NAME: 4-(4-methylpiperazin-1-yl)-[1,2,3,4]tetrazolo[1,5-a]quinoxaline
MOLECULAR FORMULA: C13H15N7
MOLECULAR WEIGHT: 269.3051
SMILES: CN1CCN(CC1)C2=NC3=CC=CC=C3N4C2=NN=N4
Structure:
CAS RN: 59866-06-7
CAS Name: 4-chlorotetrazolo[1,5-a]quinoxaline
OPENEYE Name: 4-chlorotetrazolo[1,5-a]quinoxaline
IUPAC Name: 4-chlorotetrazolo[1,5-a]quinoxaline
SYSTEMATIC NAME: 4-chloranyl-[1,2,3,4]tetrazolo[1,5-a]quinoxaline
MOLECULAR FORMULA: C8H4ClN5
MOLECULAR WEIGHT: 205.60386
SMILES: C1=CC=C2C(=C1)N=C(C3=NN=NN23)Cl
Structure:
CAS RN: 62645-02-7
CAS Name: 5-(4-methyl-1-piperazinyl)tetrazolo[1,5-a]quinazoline
OPENEYE Name: 5-(4-methylpiperazin-1-yl)tetrazolo[1,5-a]quinazoline
IUPAC Name: 5-(4-methylpiperazin-1-yl)tetrazolo[1,5-a]quinazoline
SYSTEMATIC NAME: 5-(4-methylpiperazin-1-yl)-[1,2,3,4]tetrazolo[1,5-a]quinazoline
MOLECULAR FORMULA: C13H15N7
MOLECULAR WEIGHT: 269.3051
SMILES: CN1CCN(CC1)C2=NC3=NN=NN3C4=CC=CC=C42
Structure:
CAS RN: 59866-05-6
CAS Name: 5-chlorotetrazolo[1,5-a]quinazoline
OPENEYE Name: 5-chlorotetrazolo[1,5-a]quinazoline
IUPAC Name: 5-chlorotetrazolo[1,5-a]quinazoline
SYSTEMATIC NAME: 5-chloranyl-[1,2,3,4]tetrazolo[1,5-a]quinazoline
MOLECULAR FORMULA: C8H4ClN5
MOLECULAR WEIGHT: 205.60386
SMILES: C1=CC=C2C(=C1)C(=NC3=NN=NN23)Cl
Structure:
CAS RN: 52494-53-8
CAS Name: 6-chloro-[1,2,4]triazolo[3,4-a]phthalazine
OPENEYE Name: 6-chloro-[1,2,4]triazolo[3,4-a]phthalazine
IUPAC Name: 6-chloro-[1,2,4]triazolo[3,4-a]phthalazine
SYSTEMATIC NAME: 6-chloranyl-[1,2,4]triazolo[3,4-a]phthalazine
MOLECULAR FORMULA: C9H5ClN4
MOLECULAR WEIGHT: 204.6158
SMILES: C1=CC=C2C(=C1)C3=NN=CN3N=C2Cl
Structure:
CAS RN: 52476-86-5
CAS Name: 6-(3,5-dimethyl-1-pyrazolyl)tetrazolo[5,1-a]phthalazine
OPENEYE Name: 6-(3,5-dimethylpyrazol-1-yl)tetrazolo[5,1-a]phthalazine
IUPAC Name: 6-(3,5-dimethylpyrazol-1-yl)tetrazolo[5,1-a]phthalazine
SYSTEMATIC NAME: 6-(3,5-dimethylpyrazol-1-yl)-[1,2,3,4]tetrazolo[5,1-a]phthalazine
MOLECULAR FORMULA: C13H11N7
MOLECULAR WEIGHT: 265.27334
SMILES: CC1=CC(=NN1C2=NN3C(=NN=N3)C4=CC=CC=C42)C
Structure:
CAS RN: 62645-34-5
CAS Name: 2-(6-tetrazolo[5,1-a]phthalazinylthio)acetic acid methyl ester
OPENEYE Name: methyl 2-(tetrazolo[5,1-a]phthalazin-6-ylsulfanyl)acetate
IUPAC Name: methyl 2-(tetrazolo[5,1-a]phthalazin-6-ylsulfanyl)acetate
SYSTEMATIC NAME: methyl 2-([1,2,3,4]tetrazolo[5,1-a]phthalazin-6-ylsulfanyl)ethanoate
MOLECULAR FORMULA: C11H9N5O2S
MOLECULAR WEIGHT: 275.28646
SMILES: COC(=O)CSC1=NN2C(=NN=N2)C3=CC=CC=C31
Structure:
CAS RN: 62645-33-4
CAS Name: 6-(benzenesulfonyl)tetrazolo[5,1-a]phthalazine
OPENEYE Name: 6-(benzenesulfonyl)tetrazolo[5,1-a]phthalazine
IUPAC Name: 6-(benzenesulfonyl)tetrazolo[5,1-a]phthalazine
SYSTEMATIC NAME: 6-(phenylsulfonyl)-[1,2,3,4]tetrazolo[5,1-a]phthalazine
MOLECULAR FORMULA: C14H9N5O2S
MOLECULAR WEIGHT: 311.31856
SMILES: C1=CC=C(C=C1)S(=O)(=O)C2=NN3C(=NN=N3)C4=CC=CC=C42
Structure:
CAS RN: 52476-79-6
CAS Name: 6-ethoxytetrazolo[5,1-a]phthalazine
OPENEYE Name: 6-ethoxytetrazolo[5,1-a]phthalazine
IUPAC Name: 6-ethoxytetrazolo[5,1-a]phthalazine
SYSTEMATIC NAME: 6-ethoxy-[1,2,3,4]tetrazolo[5,1-a]phthalazine
MOLECULAR FORMULA: C10H9N5O
MOLECULAR WEIGHT: 215.21136
SMILES: CCOC1=NN2C(=NN=N2)C3=CC=CC=C31
Structure:
CAS RN: 52476-83-2
CAS Name: 6-(4-methyl-1-piperazinyl)tetrazolo[5,1-a]phthalazine
OPENEYE Name: 6-(4-methylpiperazin-1-yl)tetrazolo[5,1-a]phthalazine
IUPAC Name: 6-(4-methylpiperazin-1-yl)tetrazolo[5,1-a]phthalazine
SYSTEMATIC NAME: 6-(4-methylpiperazin-1-yl)-[1,2,3,4]tetrazolo[5,1-a]phthalazine
MOLECULAR FORMULA: C13H15N7
MOLECULAR WEIGHT: 269.3051
SMILES: CN1CCN(CC1)C2=NN3C(=NN=N3)C4=CC=CC=C42
Structure:
CAS RN: 52476-82-1
CAS Name: 4-(6-tetrazolo[5,1-a]phthalazinyl)morpholine
OPENEYE Name: 4-(tetrazolo[5,1-a]phthalazin-6-yl)morpholine
IUPAC Name: 4-(tetrazolo[5,1-a]phthalazin-6-yl)morpholine
SYSTEMATIC NAME: 4-([1,2,3,4]tetrazolo[5,1-a]phthalazin-6-yl)morpholine
MOLECULAR FORMULA: C12H12N6O
MOLECULAR WEIGHT: 256.26328
SMILES: C1COCCN1C2=NN3C(=NN=N3)C4=CC=CC=C42
Structure:
CAS RN: 52494-60-7
CAS Name: 3-chloro-6-(4-methyl-1-piperazinyl)-[1,2,4]triazolo[4,3-b]pyridazine
OPENEYE Name: 3-chloro-6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
IUPAC Name: 3-chloro-6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SYSTEMATIC NAME: 3-chloranyl-6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
MOLECULAR FORMULA: C10H13ClN6
MOLECULAR WEIGHT: 252.70342
SMILES: CN1CCN(CC1)C2=NN3C(=NN=C3Cl)C=C2
Structure:
CAS RN: 28593-24-0
CAS Name: 6-chloro-[1,2,4]triazolo[4,3-b]pyridazine
OPENEYE Name: 6-chloro-[1,2,4]triazolo[4,3-b]pyridazine
IUPAC Name: 6-chloro-[1,2,4]triazolo[4,3-b]pyridazine
SYSTEMATIC NAME: 6-chloranyl-[1,2,4]triazolo[4,3-b]pyridazine
MOLECULAR FORMULA: C5H3ClN4
MOLECULAR WEIGHT: 154.55712
SMILES: C1=CC(=NN2C1=NN=C2)Cl
Structure:
CAS RN: 62645-30-1
CAS Name: 6-ethylsulfonyltetrazolo[1,5-b]pyridazine
OPENEYE Name: 6-ethylsulfonyltetrazolo[1,5-b]pyridazine
IUPAC Name: 6-ethylsulfonyltetrazolo[1,5-b]pyridazine
SYSTEMATIC NAME: 6-ethylsulfonyl-[1,2,3,4]tetrazolo[1,5-b]pyridazine
MOLECULAR FORMULA: C6H7N5O2S
MOLECULAR WEIGHT: 213.21708
SMILES: CCS(=O)(=O)C1=NN2C(=NN=N2)C=C1
Structure:
CAS RN: 62645-23-2
CAS Name: 6-methylsulfonyltetrazolo[1,5-b]pyridazine
OPENEYE Name: 6-methylsulfonyltetrazolo[1,5-b]pyridazine
IUPAC Name: 6-methylsulfonyltetrazolo[1,5-b]pyridazine
SYSTEMATIC NAME: 6-methylsulfonyl-[1,2,3,4]tetrazolo[1,5-b]pyridazine
MOLECULAR FORMULA: C5H5N5O2S
MOLECULAR WEIGHT: 199.1905
SMILES: CS(=O)(=O)C1=NN2C(=NN=N2)C=C1
Structure:
CAS RN: 52476-76-3
CAS Name: 6-ethoxytetrazolo[1,5-b]pyridazine
OPENEYE Name: 6-ethoxytetrazolo[1,5-b]pyridazine
IUPAC Name: 6-ethoxytetrazolo[1,5-b]pyridazine
SYSTEMATIC NAME: 6-ethoxy-[1,2,3,4]tetrazolo[1,5-b]pyridazine
MOLECULAR FORMULA: C6H7N5O
MOLECULAR WEIGHT: 165.15268
SMILES: CCOC1=NN2C(=NN=N2)C=C1
Structure:
CAS RN: 53619-70-8
CAS Name: 7-nitro-4-(4-nitrophenyl)sulfinyl-2,1,3-benzoxadiazole
OPENEYE Name: 7-nitro-4-(4-nitrophenyl)sulfinyl-2,1,3-benzoxadiazole
IUPAC Name: 7-nitro-4-(4-nitrophenyl)sulfinyl-2,1,3-benzoxadiazole
SYSTEMATIC NAME: 7-nitro-4-(4-nitrophenyl)sulfinyl-2,1,3-benzoxadiazole
MOLECULAR FORMULA: C12H6N4O6S
MOLECULAR WEIGHT: 334.26424
SMILES: C1=CC(=CC=C1[N+](=O)[O-])S(=O)C2=CC=C(C3=NON=C23)[N+](=O)[O-]
Structure:
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