CAS RN: 5693-15-2
CAS Name: 3-(3,5-dimethoxyphenyl)-4-(2-phenylethyl)-1H-1,2,4-triazole-5-thione
OPENEYE Name: 3-(3,5-dimethoxyphenyl)-4-(2-phenylethyl)-1H-1,2,4-triazole-5-thione
IUPAC Name: 3-(3,5-dimethoxyphenyl)-4-(2-phenylethyl)-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-(3,5-dimethoxyphenyl)-4-(2-phenylethyl)-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C18H19N3O2S
MOLECULAR WEIGHT: 341.42736
SMILES: COC1=CC(=CC(=C1)C2=NNC(=S)N2CCC3=CC=CC=C3)OC
Structure:
CAS RN: 67526-44-7
CAS Name: 1-phenyl-3-(pyridin-4-ylmethylideneamino)thiourea
OPENEYE Name: 1-phenyl-3-(4-pyridylmethyleneamino)thiourea
IUPAC Name: 1-phenyl-3-(pyridin-4-ylmethylideneamino)thiourea
SYSTEMATIC NAME: 1-phenyl-3-(pyridin-4-ylmethylideneamino)thiourea
MOLECULAR FORMULA: C13H12N4S
MOLECULAR WEIGHT: 256.32618
SMILES: C1=CC=C(C=C1)NC(=S)NN=CC2=CC=NC=C2
Structure:
CAS RN: 439692-51-0
CAS Name: (6-ethyl-4-thieno[2,3-d]pyrimidinyl)hydrazine
OPENEYE Name: (6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazine
IUPAC Name: (6-ethylthieno[2,3-d]pyrimidin-4-yl)hydrazine
SYSTEMATIC NAME: (6-ethylthieno[2,3-d]pyrimidin-4-yl)diazane
MOLECULAR FORMULA: C8H10N4S
MOLECULAR WEIGHT: 194.2568
SMILES: CCC1=CC2=C(N=CN=C2S1)NN
Structure:
CAS RN: 64686-83-5
CAS Name: 4-amino-3-(4-methoxyphenyl)-2-sulfanylidene-5-thiazolecarboxamide
OPENEYE Name: 4-amino-3-(4-methoxyphenyl)-2-thioxo-thiazole-5-carboxamide
IUPAC Name: 4-amino-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
SYSTEMATIC NAME: 4-azanyl-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
MOLECULAR FORMULA: C11H11N3O2S2
MOLECULAR WEIGHT: 281.35394
SMILES: COC1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)N)N
Structure:
CAS RN: 577-47-9
CAS Name: 1-benzoyl-2-sulfanylidene-4-imidazolidinone
OPENEYE Name: 1-benzoyl-2-thioxo-imidazolidin-4-one
IUPAC Name: 1-benzoyl-2-sulfanylideneimidazolidin-4-one
SYSTEMATIC NAME: 1-(phenylcarbonyl)-2-sulfanylidene-imidazolidin-4-one
MOLECULAR FORMULA: C10H8N2O2S
MOLECULAR WEIGHT: 220.24772
SMILES: C1C(=O)NC(=S)N1C(=O)C2=CC=CC=C2
Structure:
CAS RN: 4643-19-0
CAS Name: N-(2-methoxyphenyl)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine
OPENEYE Name: N-(2-methoxyphenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine
IUPAC Name: N-(2-methoxyphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SYSTEMATIC NAME: N-(2-methoxyphenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine
MOLECULAR FORMULA: C18H15N5O
MOLECULAR WEIGHT: 317.3446
SMILES: COC1=CC=CC=C1NC2=NC=NC3=C2C=NN3C4=CC=CC=C4
Structure:
CAS RN: 6205-24-9
CAS Name: 2-(4-nitrophenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole
OPENEYE Name: 2-(4-nitrophenyl)-4-phenyl-5-(2-thienyl)-1H-imidazole
IUPAC Name: 2-(4-nitrophenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole
SYSTEMATIC NAME: 2-(4-nitrophenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole
MOLECULAR FORMULA: C19H13N3O2S
MOLECULAR WEIGHT: 347.39042
SMILES: C1=CC=C(C=C1)C2=C(NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CS4
Structure:
CAS RN: 4819-55-0
CAS Name: 2H-imidazo[1,5-d][1,2,4]triazin-1-one
OPENEYE Name: 2H-imidazo[1,5-d][1,2,4]triazin-1-one
IUPAC Name: 2H-imidazo[1,5-d][1,2,4]triazin-1-one
SYSTEMATIC NAME: 2H-imidazo[1,5-d][1,2,4]triazin-1-one
MOLECULAR FORMULA: C5H4N4O
MOLECULAR WEIGHT: 136.11146
SMILES: C1=C2C(=O)NN=CN2C=N1
Structure:
CAS RN: 58880-06-1
CAS Name: 4-ethoxybenzoic acid 2-(dimethylamino)ethyl ester
OPENEYE Name: 2-(dimethylamino)ethyl 4-ethoxybenzoate
IUPAC Name: 2-(dimethylamino)ethyl 4-ethoxybenzoate
SYSTEMATIC NAME: 2-(dimethylamino)ethyl 4-ethoxybenzoate
MOLECULAR FORMULA: C13H19NO3
MOLECULAR WEIGHT: 237.29486
SMILES: CCOC1=CC=C(C=C1)C(=O)OCCN(C)C
Structure:
CAS RN: 35070-94-1
CAS Name: 6-amino-5-(4-methoxyphenyl)-1H-pyrimidine-2-thione
OPENEYE Name: 6-amino-5-(4-methoxyphenyl)-1H-pyrimidine-2-thione
IUPAC Name: 6-amino-5-(4-methoxyphenyl)-1H-pyrimidine-2-thione
SYSTEMATIC NAME: 6-azanyl-5-(4-methoxyphenyl)-1H-pyrimidine-2-thione
MOLECULAR FORMULA: C11H11N3OS
MOLECULAR WEIGHT: 233.28954
SMILES: COC1=CC=C(C=C1)C2=C(NC(=S)N=C2)N
Structure:
CAS RN: 79756-69-7
CAS Name: 2-(2,5-dichlorophenyl)cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-(2,5-dichlorophenyl)-1,4-benzoquinone
IUPAC Name: 2-(2,5-dichlorophenyl)cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-[2,5-bis(chloranyl)phenyl]cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C12H6Cl2O2
MOLECULAR WEIGHT: 253.08084
SMILES: C1=CC(=C(C=C1Cl)C2=CC(=O)C=CC2=O)Cl
Structure:
CAS RN: 5312-09-4
CAS Name: 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-phenylurea
OPENEYE Name: 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-phenyl-urea
IUPAC Name: 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-phenylurea
SYSTEMATIC NAME: 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-phenyl-urea
MOLECULAR FORMULA: C13H16N4OS
MOLECULAR WEIGHT: 276.35734
SMILES: CC(C)(C)C1=NN=C(S1)NC(=O)NC2=CC=CC=C2
Structure:
CAS RN: 4845-58-3
CAS Name: 6-nitro-3H-1,3-benzothiazole-2-thione
OPENEYE Name: 6-nitro-3H-1,3-benzothiazole-2-thione
IUPAC Name: 6-nitro-3H-1,3-benzothiazole-2-thione
SYSTEMATIC NAME: 6-nitro-3H-1,3-benzothiazole-2-thione
MOLECULAR FORMULA: C7H4N2O2S2
MOLECULAR WEIGHT: 212.24886
SMILES: C1=CC2=C(C=C1[N+](=O)[O-])SC(=S)N2
Structure:
CAS RN: 29519-08-2
CAS Name: 6-nitro-3H-1,3-benzothiazole-2-thione
OPENEYE Name: 6-nitro-3H-1,3-benzothiazole-2-thione
IUPAC Name: 6-nitro-3H-1,3-benzothiazole-2-thione
SYSTEMATIC NAME: 6-nitro-3H-1,3-benzothiazole-2-thione
MOLECULAR FORMULA: C7H4N2O2S2
MOLECULAR WEIGHT: 212.24886
SMILES: C1=CC2=C(C=C1[N+](=O)[O-])SC(=S)N2
Structure:
CAS RN: 5289-26-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H9FN6
MOLECULAR WEIGHT: 268.249163
SMILES: CN1C2=C(C=N1)C3=NN=C(N3C=N2)C4=CC(=CC=C4)F
Structure:
CAS RN: 5288-55-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H15N7
MOLECULAR WEIGHT: 341.3693
SMILES: CC1=CC(=C(C=C1)N2C3=C(C=N2)C4=NN=C(N4C=N3)C5=CN=CC=C5)C
Structure:
CAS RN: 74821-70-8
CAS Name: 5-chloro-6-methoxy-1,3-benzothiazol-2-amine
OPENEYE Name: 5-chloro-6-methoxy-1,3-benzothiazol-2-amine
IUPAC Name: 5-chloro-6-methoxy-1,3-benzothiazol-2-amine
SYSTEMATIC NAME: 5-chloranyl-6-methoxy-1,3-benzothiazol-2-amine
MOLECULAR FORMULA: C8H7ClN2OS
MOLECULAR WEIGHT: 214.67198
SMILES: COC1=C(C=C2C(=C1)SC(=N2)N)Cl
Structure:
CAS RN: 78874-27-8
CAS Name: 3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxylic acid
OPENEYE Name: 3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxylic acid
IUPAC Name: 3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxylic acid
SYSTEMATIC NAME: 3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxylic acid
MOLECULAR FORMULA: C10H6Cl2N2O2
MOLECULAR WEIGHT: 257.07284
SMILES: C1=CC(=C(C=C1Cl)Cl)C2=NNC(=C2)C(=O)O
Structure:
CAS RN: 107811-37-0
CAS Name: N-(4-methylphenyl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide
OPENEYE Name: N'-(5-isopropyl-1,3,4-thiadiazol-2-yl)-N-(p-tolyl)butanediamide
IUPAC Name: N-(4-methylphenyl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide
SYSTEMATIC NAME: N-(4-methylphenyl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide
MOLECULAR FORMULA: C16H20N4O2S
MOLECULAR WEIGHT: 332.4206
SMILES: CC1=CC=C(C=C1)NC(=O)CCC(=O)NC2=NN=C(S2)C(C)C
Structure:
CAS RN: 137987-88-3
CAS Name: 1-(2,4-dihydroxyphenyl)-2-(2-methoxyphenoxy)ethanone
OPENEYE Name: 1-(2,4-dihydroxyphenyl)-2-(2-methoxyphenoxy)ethanone
IUPAC Name: 1-(2,4-dihydroxyphenyl)-2-(2-methoxyphenoxy)ethanone
SYSTEMATIC NAME: 1-[2,4-bis(oxidanyl)phenyl]-2-(2-methoxyphenoxy)ethanone
MOLECULAR FORMULA: C15H14O5
MOLECULAR WEIGHT: 274.26866
SMILES: COC1=CC=CC=C1OCC(=O)C2=C(C=C(C=C2)O)O
Structure:
CAS RN: 5280-71-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H9FN6
MOLECULAR WEIGHT: 268.249163
SMILES: CN1C2=C(C=N1)C3=NN=C(N3C=N2)C4=CC=C(C=C4)F
Structure:
CAS RN: 6950-19-2
CAS Name: 6-[(2,4-dichlorophenyl)methylthio]-7H-purin-2-amine
OPENEYE Name: 6-[(2,4-dichlorophenyl)methylsulfanyl]-7H-purin-2-amine
IUPAC Name: 6-[(2,4-dichlorophenyl)methylsulfanyl]-7H-purin-2-amine
SYSTEMATIC NAME: 6-[(2,4-dichlorophenyl)methylsulfanyl]-7H-purin-2-amine
MOLECULAR FORMULA: C12H9Cl2N5S
MOLECULAR WEIGHT: 326.20436
SMILES: C1=CC(=C(C=C1Cl)Cl)CSC2=NC(=NC3=C2NC=N3)N
Structure:
CAS RN: 5278-70-6
CAS Name: 3-[5-(hydroxyiminomethyl)-2-furanyl]benzoic acid
OPENEYE Name: 3-[5-(hydroxyiminomethyl)-2-furyl]benzoic acid
IUPAC Name: 3-[5-(hydroxyiminomethyl)furan-2-yl]benzoic acid
SYSTEMATIC NAME: 3-[5-(hydroxyiminomethyl)furan-2-yl]benzoic acid
MOLECULAR FORMULA: C12H9NO4
MOLECULAR WEIGHT: 231.20416
SMILES: C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)C=NO
Structure:
CAS RN: 5278-69-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H22N4OS
MOLECULAR WEIGHT: 342.45848
SMILES: CC(C)C1=C2CCCC2=C3C4=C(C(=NC=N4)N(C)CCO)SC3=N1
Structure:
CAS RN: 5276-50-6
CAS Name: N-(2-methoxy-5-methylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
OPENEYE Name: N-(2-methoxy-5-methyl-phenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
IUPAC Name: N-(2-methoxy-5-methylphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SYSTEMATIC NAME: N-(2-methoxy-5-methyl-phenyl)-6-oxidanylidene-1-phenyl-4,5-dihydropyridazine-3-carboxamide
MOLECULAR FORMULA: C19H19N3O3
MOLECULAR WEIGHT: 337.37246
SMILES: CC1=CC(=C(C=C1)OC)NC(=O)C2=NN(C(=O)CC2)C3=CC=CC=C3
Structure:
CAS RN: 92025-69-9
CAS Name: 6-(2-phenylethylthio)-7H-purin-2-amine
OPENEYE Name: 6-(2-phenylethylsulfanyl)-7H-purin-2-amine
IUPAC Name: 6-(2-phenylethylsulfanyl)-7H-purin-2-amine
SYSTEMATIC NAME: 6-(2-phenylethylsulfanyl)-7H-purin-2-amine
MOLECULAR FORMULA: C13H13N5S
MOLECULAR WEIGHT: 271.34082
SMILES: C1=CC=C(C=C1)CCSC2=NC(=NC3=C2NC=N3)N
Structure:
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