CAS RN: 60045-61-6
CAS Name: 5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
OPENEYE Name: 5-[(4-methoxyphenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione
IUPAC Name: 5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
SYSTEMATIC NAME: 5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
MOLECULAR FORMULA: C12H10N2O3S
MOLECULAR WEIGHT: 262.2844
SMILES: COC1=CC=C(C=C1)C=C2C(=O)NC(=S)NC2=O
Structure:
CAS RN: 99429-64-8
CAS Name: 4-chloro-2-oxo-1H-quinoline-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 4-chloro-2-oxo-1H-quinoline-3-carboxylate
IUPAC Name: ethyl 4-chloro-2-oxo-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 4-chloranyl-2-oxidanylidene-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C12H10ClNO3
MOLECULAR WEIGHT: 251.6657
SMILES: CCOC(=O)C1=C(C2=CC=CC=C2NC1=O)Cl
Structure:
CAS RN: 2979-06-8
CAS Name: (E)-3-(4-hydroxyphenyl)-2-propenoic acid ethyl ester
OPENEYE Name: ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
IUPAC Name: ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
MOLECULAR FORMULA: C11H12O3
MOLECULAR WEIGHT: 192.21118
SMILES: CCOC(=O)/C=C/C1=CC=C(C=C1)O
Structure:
CAS RN: 58125-40-9
CAS Name: 2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
OPENEYE Name: 2-chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide
IUPAC Name: 2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
SYSTEMATIC NAME: 2-chloranyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamide
MOLECULAR FORMULA: C11H11ClN2OS
MOLECULAR WEIGHT: 254.73584
SMILES: C1CCC2=C(C1)C(=C(S2)NC(=O)CCl)C#N
Structure:
CAS RN: 22693-51-2
CAS Name: 3-[(Z)-2-nitroprop-1-enyl]-1H-indole
OPENEYE Name: 3-[(Z)-2-nitroprop-1-enyl]-1H-indole
IUPAC Name: 3-[(Z)-2-nitroprop-1-enyl]-1H-indole
SYSTEMATIC NAME: 3-[(Z)-2-nitroprop-1-enyl]-1H-indole
MOLECULAR FORMULA: C11H10N2O2
MOLECULAR WEIGHT: 202.2093
SMILES: C/C(=C/C1=CNC2=CC=CC=C21)/[N+](=O)[O-]
Structure:
CAS RN: 27430-12-2
CAS Name: 5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
OPENEYE Name: 5-[(4-nitrophenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione
IUPAC Name: 5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
SYSTEMATIC NAME: 5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
MOLECULAR FORMULA: C11H7N3O4S
MOLECULAR WEIGHT: 277.25598
SMILES: C1=CC(=CC=C1C=C2C(=O)NC(=S)NC2=O)[N+](=O)[O-]
Structure:
CAS RN: 92754-58-0
CAS Name: 5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
OPENEYE Name: 5-[(4-fluorophenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione
IUPAC Name: 5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
SYSTEMATIC NAME: 5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
MOLECULAR FORMULA: C11H7FN2O2S
MOLECULAR WEIGHT: 250.248883
SMILES: C1=CC(=CC=C1C=C2C(=O)NC(=S)NC2=O)F
Structure:
CAS RN: 27430-13-3
CAS Name: 5-[(4-chlorophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
OPENEYE Name: 5-[(4-chlorophenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione
IUPAC Name: 5-[(4-chlorophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
SYSTEMATIC NAME: 5-[(4-chlorophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
MOLECULAR FORMULA: C11H7ClN2O2S
MOLECULAR WEIGHT: 266.70348
SMILES: C1=CC(=CC=C1C=C2C(=O)NC(=S)NC2=O)Cl
Structure:
CAS RN: 68255-58-3
CAS Name: 1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
OPENEYE Name: 1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
IUPAC Name: 1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
SYSTEMATIC NAME: 1-[4-(trifluoromethyloxy)phenyl]pyrrole-2,5-dione
MOLECULAR FORMULA: C11H6F3NO3
MOLECULAR WEIGHT: 257.16545
SMILES: C1=CC(=CC=C1N2C(=O)C=CC2=O)OC(F)(F)F
Structure:
CAS RN: 5483-65-8
CAS Name: 2-[(3,3-dimethyl-5-oxocyclohexylidene)amino]acetic acid
OPENEYE Name: 2-[(3,3-dimethyl-5-oxo-cyclohexylidene)amino]acetic acid
IUPAC Name: 2-[(3,3-dimethyl-5-oxocyclohexylidene)amino]acetic acid
SYSTEMATIC NAME: 2-[(3,3-dimethyl-5-oxidanylidene-cyclohexylidene)amino]ethanoic acid
MOLECULAR FORMULA: C10H15NO3
MOLECULAR WEIGHT: 197.231
SMILES: CC1(CC(=NCC(=O)O)CC(=O)C1)C
Structure:
CAS RN: 26155-38-4
CAS Name: N-(1-phenylethylideneamino)carbamodithioic acid methyl ester
OPENEYE Name: methyl N-(1-phenylethylideneamino)carbamodithioate
IUPAC Name: methyl N-(1-phenylethylideneamino)carbamodithioate
SYSTEMATIC NAME: methyl N-(1-phenylethylideneamino)carbamodithioate
MOLECULAR FORMULA: C10H12N2S2
MOLECULAR WEIGHT: 224.34568
SMILES: CC(=NNC(=S)SC)C1=CC=CC=C1
Structure:
CAS RN: 39181-40-3
CAS Name: 5-(2-phenylethyl)-1,3,4-thiadiazol-2-amine
OPENEYE Name: 5-(2-phenylethyl)-1,3,4-thiadiazol-2-amine
IUPAC Name: 5-(2-phenylethyl)-1,3,4-thiadiazol-2-amine
SYSTEMATIC NAME: 5-(2-phenylethyl)-1,3,4-thiadiazol-2-amine
MOLECULAR FORMULA: C10H11N3S
MOLECULAR WEIGHT: 205.27944
SMILES: C1=CC=C(C=C1)CCC2=NN=C(S2)N
Structure:
CAS RN: 93247-78-0
CAS Name: 1H-indole-7-carboxylic acid methyl ester
OPENEYE Name: methyl 1H-indole-7-carboxylate
IUPAC Name: methyl 1H-indole-7-carboxylate
SYSTEMATIC NAME: methyl 1H-indole-7-carboxylate
MOLECULAR FORMULA: C10H9NO2
MOLECULAR WEIGHT: 175.18396
SMILES: COC(=O)C1=CC=CC2=C1NC=C2
Structure:
CAS RN: 30065-27-1
CAS Name: 2-(1H-benzimidazol-2-ylthio)acetohydrazide
OPENEYE Name: 2-(1H-benzimidazol-2-ylsulfanyl)acetohydrazide
IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)acetohydrazide
SYSTEMATIC NAME: 2-(1H-benzimidazol-2-ylsulfanyl)ethanehydrazide
MOLECULAR FORMULA: C9H10N4OS
MOLECULAR WEIGHT: 222.2669
SMILES: C1=CC=C2C(=C1)NC(=N2)SCC(=O)NN
Structure:
CAS RN: 7484-46-0
CAS Name: N-[(phenylmethylene)amino]carbamodithioic acid methyl ester
OPENEYE Name: methyl N-(benzylideneamino)carbamodithioate
IUPAC Name: methyl N-(benzylideneamino)carbamodithioate
SYSTEMATIC NAME: methyl N-[(phenylmethylidene)amino]carbamodithioate
MOLECULAR FORMULA: C9H10N2S2
MOLECULAR WEIGHT: 210.3191
SMILES: CSC(=S)NN=CC1=CC=CC=C1
Structure:
CAS RN: 76429-73-7
CAS Name: 2,3-dihydrobenzofuran-5-carboxylic acid
OPENEYE Name: 2,3-dihydrobenzofuran-5-carboxylic acid
IUPAC Name: 2,3-dihydro-1-benzofuran-5-carboxylic acid
SYSTEMATIC NAME: 2,3-dihydro-1-benzofuran-5-carboxylic acid
MOLECULAR FORMULA: C9H8O3
MOLECULAR WEIGHT: 164.15802
SMILES: C1COC2=C1C=C(C=C2)C(=O)O
Structure:
CAS RN: 52333-43-4
CAS Name: 7-bromo-2,3-dimethylpyrido[2,3-b]pyrazine
OPENEYE Name: 7-bromo-2,3-dimethyl-pyrido[2,3-b]pyrazine
IUPAC Name: 7-bromo-2,3-dimethylpyrido[2,3-b]pyrazine
SYSTEMATIC NAME: 7-bromanyl-2,3-dimethyl-pyrido[2,3-b]pyrazine
MOLECULAR FORMULA: C9H8BrN3
MOLECULAR WEIGHT: 238.08392
SMILES: CC1=NC2=CC(=CN=C2N=C1C)Br
Structure:
CAS RN: 27430-18-8
CAS Name: 5-(2-furanylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
OPENEYE Name: 5-(2-furylmethylene)-2-thioxo-hexahydropyrimidine-4,6-dione
IUPAC Name: 5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
SYSTEMATIC NAME: 5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
MOLECULAR FORMULA: C9H6N2O3S
MOLECULAR WEIGHT: 222.22054
SMILES: C1=COC(=C1)C=C2C(=O)NC(=S)NC2=O
Structure:
CAS RN: 5779-61-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C8H12O3
MOLECULAR WEIGHT: 156.17908
SMILES: CC12OC3CC(O1)CC(C3)O2
Structure:
CAS RN: 118121-89-4
CAS Name: [5-fluoro-4-(4-morpholinyl)-2-pyrimidinyl]hydrazine
OPENEYE Name: (5-fluoro-4-morpholino-pyrimidin-2-yl)hydrazine
IUPAC Name: (5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine
SYSTEMATIC NAME: (5-fluoranyl-4-morpholin-4-yl-pyrimidin-2-yl)diazane
MOLECULAR FORMULA: C8H12FN5O
MOLECULAR WEIGHT: 213.212183
SMILES: C1COCCN1C2=NC(=NC=C2F)NN
Structure:
CAS RN: 90090-50-9
CAS Name: (E)-4-(4-morpholinyl)-4-oxo-2-butenoic acid
OPENEYE Name: (E)-4-morpholino-4-oxo-but-2-enoic acid
IUPAC Name: (E)-4-morpholin-4-yl-4-oxobut-2-enoic acid
SYSTEMATIC NAME: (E)-4-morpholin-4-yl-4-oxidanylidene-but-2-enoic acid
MOLECULAR FORMULA: C8H11NO4
MOLECULAR WEIGHT: 185.17724
SMILES: C1COCCN1C(=O)/C=C/C(=O)O
Structure:
CAS RN: 54585-47-6
CAS Name: 4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
OPENEYE Name: 4,6-dimethyl-2-thioxo-1H-pyridine-3-carbonitrile
IUPAC Name: 4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
SYSTEMATIC NAME: 4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
MOLECULAR FORMULA: C8H8N2S
MOLECULAR WEIGHT: 164.22752
SMILES: CC1=CC(=C(C(=S)N1)C#N)C
Structure:
CAS RN: 7659-02-1
CAS Name: 5-(3-nitrophenyl)-1,3,4-oxadiazol-2-amine
OPENEYE Name: 5-(3-nitrophenyl)-1,3,4-oxadiazol-2-amine
IUPAC Name: 5-(3-nitrophenyl)-1,3,4-oxadiazol-2-amine
SYSTEMATIC NAME: 5-(3-nitrophenyl)-1,3,4-oxadiazol-2-amine
MOLECULAR FORMULA: C8H6N4O3
MOLECULAR WEIGHT: 206.15824
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C2=NN=C(O2)N
Structure:
CAS RN: 52488-36-5
CAS Name: 4-bromo-1H-indole
OPENEYE Name: 4-bromo-1H-indole
IUPAC Name: 4-bromo-1H-indole
SYSTEMATIC NAME: 4-bromanyl-1H-indole
MOLECULAR FORMULA: C8H6BrN
MOLECULAR WEIGHT: 196.04394
SMILES: C1=CC2=C(C=CN2)C(=C1)Br
Structure:
CAS RN: 19053-14-6
CAS Name: 4-bromo-1H-indole
OPENEYE Name: 4-bromo-1H-indole
IUPAC Name: 4-bromo-1H-indole
SYSTEMATIC NAME: 4-bromanyl-1H-indole
MOLECULAR FORMULA: C8H6BrN
MOLECULAR WEIGHT: 196.04394
SMILES: C1=CC2=C(C=CN2)C(=C1)Br
Structure:
CAS RN: 52415-29-9
CAS Name: 6-bromo-1H-indole
OPENEYE Name: 6-bromo-1H-indole
IUPAC Name: 6-bromo-1H-indole
SYSTEMATIC NAME: 6-bromanyl-1H-indole
MOLECULAR FORMULA: C8H6BrN
MOLECULAR WEIGHT: 196.04394
SMILES: C1=CC(=CC2=C1C=CN2)Br
Structure:
CAS RN: 88525-51-3
CAS Name: 7-chloro-1,3-benzodioxole-5-carboxaldehyde
OPENEYE Name: 7-chloro-1,3-benzodioxole-5-carbaldehyde
IUPAC Name: 7-chloro-1,3-benzodioxole-5-carbaldehyde
SYSTEMATIC NAME: 7-chloranyl-1,3-benzodioxole-5-carbaldehyde
MOLECULAR FORMULA: C8H5ClO3
MOLECULAR WEIGHT: 184.5765
SMILES: C1OC2=C(O1)C(=CC(=C2)C=O)Cl
Structure:
CAS RN: 33509-43-2
CAS Name: 4-amino-6-tert-butyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
OPENEYE Name: 4-amino-6-tert-butyl-3-thioxo-2H-1,2,4-triazin-5-one
IUPAC Name: 4-amino-6-tert-butyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
SYSTEMATIC NAME: 4-azanyl-6-tert-butyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
MOLECULAR FORMULA: C7H12N4OS
MOLECULAR WEIGHT: 200.26138
SMILES: CC(C)(C)C1=NNC(=S)N(C1=O)N
Structure:
CAS RN: 76609-47-7
CAS Name: 1-amino-3-(3-pyridinylmethyl)thiourea
OPENEYE Name: 1-amino-3-(3-pyridylmethyl)thiourea
IUPAC Name: 1-amino-3-(pyridin-3-ylmethyl)thiourea
SYSTEMATIC NAME: 1-azanyl-3-(pyridin-3-ylmethyl)thiourea
MOLECULAR FORMULA: C7H10N4S
MOLECULAR WEIGHT: 182.2461
SMILES: C1=CC(=CN=C1)CNC(=S)NN
Structure:
CAS RN: 6703-92-0
CAS Name: 3,7-dimethyl-8-sulfanylidene-9H-purine-2,6-dione
OPENEYE Name: 3,7-dimethyl-8-thioxo-9H-purine-2,6-dione
IUPAC Name: 3,7-dimethyl-8-sulfanylidene-9H-purine-2,6-dione
SYSTEMATIC NAME: 3,7-dimethyl-8-sulfanylidene-9H-purine-2,6-dione
MOLECULAR FORMULA: C7H8N4O2S
MOLECULAR WEIGHT: 212.22902
SMILES: CN1C2=C(NC1=S)N(C(=O)NC2=O)C
Structure:
CAS RN: 103-85-5
CAS Name: phenylthiourea
OPENEYE Name: phenylthiourea
IUPAC Name: phenylthiourea
SYSTEMATIC NAME: 1-phenylthiourea
MOLECULAR FORMULA: C7H8N2S
MOLECULAR WEIGHT: 152.21682
SMILES: C1=CC=C(C=C1)NC(=S)N
Structure:
CAS RN: 206559-58-2
CAS Name: 1-amino-3-(2,4-difluorophenyl)thiourea
OPENEYE Name: 1-amino-3-(2,4-difluorophenyl)thiourea
IUPAC Name: 1-amino-3-(2,4-difluorophenyl)thiourea
SYSTEMATIC NAME: 1-azanyl-3-[2,4-bis(fluoranyl)phenyl]thiourea
MOLECULAR FORMULA: C7H7F2N3S
MOLECULAR WEIGHT: 203.212386
SMILES: C1=CC(=C(C=C1F)F)NC(=S)NN
Structure:
CAS RN: 172935-91-0
CAS Name: 2,6-difluorobenzohydrazide
OPENEYE Name: 2,6-difluorobenzohydrazide
IUPAC Name: 2,6-difluorobenzohydrazide
SYSTEMATIC NAME: 2,6-bis(fluoranyl)benzohydrazide
MOLECULAR FORMULA: C7H6F2N2O
MOLECULAR WEIGHT: 172.132146
SMILES: C1=CC(=C(C(=C1)F)C(=O)NN)F
Structure:
CAS RN: 81569-44-0
CAS Name: 4-methyl-5-thiazolecarboxylic acid methyl ester
OPENEYE Name: methyl 4-methylthiazole-5-carboxylate
IUPAC Name: methyl 4-methyl-1,3-thiazole-5-carboxylate
SYSTEMATIC NAME: methyl 4-methyl-1,3-thiazole-5-carboxylate
MOLECULAR FORMULA: C6H7NO2S
MOLECULAR WEIGHT: 157.19028
SMILES: CC1=C(SC=N1)C(=O)OC
Structure:
CAS RN: 116776-43-3
CAS Name: 5-imino-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
OPENEYE Name: 5-imino-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
IUPAC Name: 5-imino-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SYSTEMATIC NAME: 5-azanylidene-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MOLECULAR FORMULA: C6H6N4OS
MOLECULAR WEIGHT: 182.20304
SMILES: CC1=NN2C(=N)CC(=O)N=C2S1
Structure:
CAS RN: 6952-68-7
CAS Name: 2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione
OPENEYE Name: 2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione
IUPAC Name: 2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione
SYSTEMATIC NAME: 2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione
MOLECULAR FORMULA: C6H5N3S
MOLECULAR WEIGHT: 151.189
SMILES: C1=CC2=NNC(=S)N2C=C1
Structure:
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