CAS RN: 6913-14-0
CAS Name: 3-(ethylthio)-1,2,4-thiadiazol-5-amine
OPENEYE Name: 3-ethylsulfanyl-1,2,4-thiadiazol-5-amine
IUPAC Name: 3-ethylsulfanyl-1,2,4-thiadiazol-5-amine
SYSTEMATIC NAME: 3-ethylsulfanyl-1,2,4-thiadiazol-5-amine
MOLECULAR FORMULA: C4H7N3S2
MOLECULAR WEIGHT: 161.24848
SMILES: CCSC1=NSC(=N1)N
Structure:
CAS RN: 88394-35-8
CAS Name: 2-[(3-methyl-5-nitro-4-imidazolyl)sulfonyl]acetic acid
OPENEYE Name: 2-(3-methyl-5-nitro-imidazol-4-yl)sulfonylacetic acid
IUPAC Name: 2-(3-methyl-5-nitroimidazol-4-yl)sulfonylacetic acid
SYSTEMATIC NAME: 2-(3-methyl-5-nitro-imidazol-4-yl)sulfonylethanoic acid
MOLECULAR FORMULA: C6H7N3O6S
MOLECULAR WEIGHT: 249.20128
SMILES: CN1C=NC(=C1S(=O)(=O)CC(=O)O)[N+](=O)[O-]
Structure:
CAS RN: 78101-65-2
CAS Name: 2-[(5-nitro-1H-imidazol-4-yl)thio]acetic acid
OPENEYE Name: 2-[(5-nitro-1H-imidazol-4-yl)sulfanyl]acetic acid
IUPAC Name: 2-[(5-nitro-1H-imidazol-4-yl)sulfanyl]acetic acid
SYSTEMATIC NAME: 2-[(5-nitro-1H-imidazol-4-yl)sulfanyl]ethanoic acid
MOLECULAR FORMULA: C5H5N3O4S
MOLECULAR WEIGHT: 203.1759
SMILES: C1=NC(=C(N1)[N+](=O)[O-])SCC(=O)O
Structure:
CAS RN: 73388-46-2
CAS Name: acetic acid [2-(methylcarbamoyl)phenyl] ester
OPENEYE Name: [2-(methylcarbamoyl)phenyl] acetate
IUPAC Name: [2-(methylcarbamoyl)phenyl] acetate
SYSTEMATIC NAME: [2-(methylcarbamoyl)phenyl] ethanoate
MOLECULAR FORMULA: C10H11NO3
MOLECULAR WEIGHT: 193.19924
SMILES: CC(=O)OC1=CC=CC=C1C(=O)NC
Structure:
CAS RN: 29682-53-9
CAS Name: 5-methyl-4-thiadiazolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 5-methylthiadiazole-4-carboxylate
IUPAC Name: ethyl 5-methylthiadiazole-4-carboxylate
SYSTEMATIC NAME: ethyl 5-methyl-1,2,3-thiadiazole-4-carboxylate
MOLECULAR FORMULA: C6H8N2O2S
MOLECULAR WEIGHT: 172.20492
SMILES: CCOC(=O)C1=C(SN=N1)C
Structure:
CAS RN: 90229-84-8
CAS Name: 5,5-dichloro-1,2,4-dithiazol-3-amine
OPENEYE Name: 5,5-dichloro-1,2,4-dithiazol-3-amine
IUPAC Name: 5,5-dichloro-1,2,4-dithiazol-3-amine
SYSTEMATIC NAME: 5,5-bis(chloranyl)-1,2,4-dithiazol-3-amine
MOLECULAR FORMULA: C2H2Cl2N2S2
MOLECULAR WEIGHT: 189.08668
SMILES: C1(=NC(SS1)(Cl)Cl)N
Structure:
CAS RN: 89033-98-7
CAS Name: 5-chloro-3-[(5-chloro-1,2,4-thiadiazol-3-yl)disulfanyl]-1,2,4-thiadiazole
OPENEYE Name: 5-chloro-3-[(5-chloro-1,2,4-thiadiazol-3-yl)disulfanyl]-1,2,4-thiadiazole
IUPAC Name: 5-chloro-3-[(5-chloro-1,2,4-thiadiazol-3-yl)disulfanyl]-1,2,4-thiadiazole
SYSTEMATIC NAME: 5-chloranyl-3-[(5-chloranyl-1,2,4-thiadiazol-3-yl)disulfanyl]-1,2,4-thiadiazole
MOLECULAR FORMULA: C4Cl2N4S4
MOLECULAR WEIGHT: 303.2356
SMILES: C1(=NSC(=N1)Cl)SSC2=NSC(=N2)Cl
Structure:
CAS RN: 33901-30-3
CAS Name: 5-amino-3H-1,3,4-thiadiazol-2-one
OPENEYE Name: 5-amino-3H-1,3,4-thiadiazol-2-one
IUPAC Name: 5-amino-3H-1,3,4-thiadiazol-2-one
SYSTEMATIC NAME: 5-azanyl-3H-1,3,4-thiadiazol-2-one
MOLECULAR FORMULA: C2H3N3OS
MOLECULAR WEIGHT: 117.12972
SMILES: C1(=NNC(=O)S1)N
Structure:
CAS RN: 4447-45-4
CAS Name: 5-(2-furanyl)-1,3,4-thiadiazol-2-amine
OPENEYE Name: 5-(2-furyl)-1,3,4-thiadiazol-2-amine
IUPAC Name: 5-(furan-2-yl)-1,3,4-thiadiazol-2-amine
SYSTEMATIC NAME: 5-(furan-2-yl)-1,3,4-thiadiazol-2-amine
MOLECULAR FORMULA: C6H5N3OS
MOLECULAR WEIGHT: 167.1884
SMILES: C1=COC(=C1)C2=NN=C(S2)N
Structure:
CAS RN: 30094-47-4
CAS Name: 1,3,4-thiadiazol-2-ylhydrazine
OPENEYE Name: 1,3,4-thiadiazol-2-ylhydrazine
IUPAC Name: 1,3,4-thiadiazol-2-ylhydrazine
SYSTEMATIC NAME: 1,3,4-thiadiazol-2-yldiazane
MOLECULAR FORMULA: C2H4N4S
MOLECULAR WEIGHT: 116.14496
SMILES: C1=NN=C(S1)NN
Structure:
CAS RN: 45534-38-1
CAS Name: 5-hydrazinyl-1,3,4-thiadiazol-2-amine
OPENEYE Name: 5-hydrazino-1,3,4-thiadiazol-2-amine
IUPAC Name: 5-hydrazinyl-1,3,4-thiadiazol-2-amine
SYSTEMATIC NAME: 5-diazanyl-1,3,4-thiadiazol-2-amine
MOLECULAR FORMULA: C2H5N5S
MOLECULAR WEIGHT: 131.1596
SMILES: C1(=NN=C(S1)NN)N
Structure:
CAS RN: 1468-55-9
CAS Name: 3-chloro-2-azepanone
OPENEYE Name: 3-chloroazepan-2-one
IUPAC Name: 3-chloroazepan-2-one
SYSTEMATIC NAME: 3-chloranylazepan-2-one
MOLECULAR FORMULA: C6H10ClNO
MOLECULAR WEIGHT: 147.6027
SMILES: C1CCNC(=O)C(C1)Cl
Structure:
CAS RN: 72346-25-9
CAS Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-7H-purin-2-one
OPENEYE Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7H-purin-2-one
IUPAC Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purin-2-one
SYSTEMATIC NAME: 1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7H-purin-2-one
MOLECULAR FORMULA: C10H12N4O5
MOLECULAR WEIGHT: 268.22608
SMILES: C1=C2C(=NC(=O)N1C3C(C(C(O3)CO)O)O)N=CN2
Structure:
CAS RN: 24010-80-8
CAS Name: 1-cyano-2-ethylguanidine
OPENEYE Name: 1-cyano-2-ethyl-guanidine
IUPAC Name: 1-cyano-2-ethylguanidine
SYSTEMATIC NAME: 1-cyano-2-ethyl-guanidine
MOLECULAR FORMULA: C4H8N4
MOLECULAR WEIGHT: 112.13312
SMILES: CCN=C(N)NC#N
Structure:
CAS RN: 94623-28-6
CAS Name: 12-ethyl-6-chrysenamine
OPENEYE Name: 12-ethylchrysen-6-amine
IUPAC Name: 12-ethylchrysen-6-amine
SYSTEMATIC NAME: 12-ethylchrysen-6-amine
MOLECULAR FORMULA: C20H17N
MOLECULAR WEIGHT: 271.35568
SMILES: CCC1=CC2=C(C=C(C3=CC=CC=C32)N)C4=CC=CC=C41
Structure:
CAS RN: 91766-95-9
CAS Name: 2-[(4-chlorophenyl)methyl]-4-pentenehydrazide
OPENEYE Name: 2-[(4-chlorophenyl)methyl]pent-4-enehydrazide
IUPAC Name: 2-[(4-chlorophenyl)methyl]pent-4-enehydrazide
SYSTEMATIC NAME: 2-[(4-chlorophenyl)methyl]pent-4-enehydrazide
MOLECULAR FORMULA: C12H15ClN2O
MOLECULAR WEIGHT: 238.7133
SMILES: C=CCC(CC1=CC=C(C=C1)Cl)C(=O)NN
Structure:
CAS RN: 1496-13-5
CAS Name: 2-fluorophenanthrene-9,10-dione
OPENEYE Name: 2-fluorophenanthrene-9,10-dione
IUPAC Name: 2-fluorophenanthrene-9,10-dione
SYSTEMATIC NAME: 2-fluoranylphenanthrene-9,10-dione
MOLECULAR FORMULA: C14H7FO2
MOLECULAR WEIGHT: 226.202583
SMILES: C1=CC=C2C(=C1)C3=C(C=C(C=C3)F)C(=O)C2=O
Structure:
CAS RN: 2381-12-6
CAS Name: 10-chloro-5,6-dimethylbenzo[c]acridine
OPENEYE Name: 10-chloro-5,6-dimethyl-benzo[c]acridine
IUPAC Name: 10-chloro-5,6-dimethylbenzo[c]acridine
SYSTEMATIC NAME: 10-chloranyl-5,6-dimethyl-benzo[c]acridine
MOLECULAR FORMULA: C19H14ClN
MOLECULAR WEIGHT: 291.77416
SMILES: CC1=C(C2=C(C3=CC=CC=C13)N=C4C=C(C=CC4=C2)Cl)C
Structure:
CAS RN: 2381-13-7
CAS Name: 9-chloro-5,6-dimethylbenzo[c]acridine
OPENEYE Name: 9-chloro-5,6-dimethyl-benzo[c]acridine
IUPAC Name: 9-chloro-5,6-dimethylbenzo[c]acridine
SYSTEMATIC NAME: 9-chloranyl-5,6-dimethyl-benzo[c]acridine
MOLECULAR FORMULA: C19H14ClN
MOLECULAR WEIGHT: 291.77416
SMILES: CC1=C(C2=C(C3=CC=CC=C13)N=C4C=CC(=CC4=C2)Cl)C
Structure:
CAS RN: 29955-42-8
CAS Name: 2,4,6-trioxo-1,3-diazinane-5-carboxaldehyde oxime
OPENEYE Name: 2,4,6-trioxohexahydropyrimidine-5-carbaldehyde oxime
IUPAC Name: 5-(hydroxyiminomethyl)-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-(hydroxyiminomethyl)-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C5H5N3O4
MOLECULAR WEIGHT: 171.1109
SMILES: C(=NO)C1C(=O)NC(=O)NC1=O
Structure:
CAS RN: 29955-41-7
CAS Name: 5-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-1,3-diazinane-2,4,6-trione
OPENEYE Name: 5-[[(2,4-dinitrophenyl)hydrazono]methyl]hexahydropyrimidine-2,4,6-trione
IUPAC Name: 5-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C11H8N6O7
MOLECULAR WEIGHT: 336.21722
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NN=CC2C(=O)NC(=O)NC2=O
Structure:
CAS RN: 4440-89-5
CAS Name: 4,5-dimethyl-1,3,2-dioxathiolane 2,2-dioxide
OPENEYE Name: 4,5-dimethyl-1,3,2-dioxathiolane 2,2-dioxide
IUPAC Name: 4,5-dimethyl-1,3,2-dioxathiolane 2,2-dioxide
SYSTEMATIC NAME: 4,5-dimethyl-1,3,2-dioxathiolane 2,2-dioxide
MOLECULAR FORMULA: C4H8O4S
MOLECULAR WEIGHT: 152.16892
SMILES: CC1C(OS(=O)(=O)O1)C
Structure:
CAS RN: 13092-83-6
CAS Name: 5-methyl-1,3-diazinan-2-one
OPENEYE Name: 5-methylhexahydropyrimidin-2-one
IUPAC Name: 5-methyl-1,3-diazinan-2-one
SYSTEMATIC NAME: 5-methyl-1,3-diazinan-2-one
MOLECULAR FORMULA: C5H10N2O
MOLECULAR WEIGHT: 114.1457
SMILES: CC1CNC(=O)NC1
Structure:
CAS RN: 27623-72-9
CAS Name: 3-methyl-5-oxo-4H-pyrazole-1-carboximidamide
OPENEYE Name: 3-methyl-5-oxo-4H-pyrazole-1-carboxamidine
IUPAC Name: 3-methyl-5-oxo-4H-pyrazole-1-carboximidamide
SYSTEMATIC NAME: 3-methyl-5-oxidanylidene-4H-pyrazole-1-carboximidamide
MOLECULAR FORMULA: C5H8N4O
MOLECULAR WEIGHT: 140.14322
SMILES: CC1=NN(C(=O)C1)C(=N)N
Structure:
CAS RN: 13437-25-7
CAS Name: 2,5-dichloro-3,6-bis(2-methoxyanilino)cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,5-dichloro-3,6-bis(2-methoxyanilino)-1,4-benzoquinone
IUPAC Name: 2,5-dichloro-3,6-bis(2-methoxyanilino)cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,5-bis(chloranyl)-3,6-bis[(2-methoxyphenyl)amino]cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C20H16Cl2N2O4
MOLECULAR WEIGHT: 419.25804
SMILES: COC1=CC=CC=C1NC2=C(C(=O)C(=C(C2=O)Cl)NC3=CC=CC=C3OC)Cl
Structure:
CAS RN: 16993-71-8
CAS Name: 1,3-bis(hydroxymethyl)-4H-pyrimidin-2-one
OPENEYE Name: 1,3-bis(hydroxymethyl)-4H-pyrimidin-2-one
IUPAC Name: 1,3-bis(hydroxymethyl)-4H-pyrimidin-2-one
SYSTEMATIC NAME: 1,3-bis(hydroxymethyl)-4H-pyrimidin-2-one
MOLECULAR FORMULA: C6H10N2O3
MOLECULAR WEIGHT: 158.1552
SMILES: C1C=CN(C(=O)N1CO)CO
Structure:
CAS RN: 3397-65-7
CAS Name: 2-(1-oxododecylamino)pentanedioic acid
OPENEYE Name: 2-(dodecanoylamino)pentanedioic acid
IUPAC Name: 2-(dodecanoylamino)pentanedioic acid
SYSTEMATIC NAME: 2-(dodecanoylamino)pentanedioic acid
MOLECULAR FORMULA: C17H31NO5
MOLECULAR WEIGHT: 329.43174
SMILES: CCCCCCCCCCCC(=O)NC(CCC(=O)O)C(=O)O
Structure:
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