CAS RN: 108306-53-2
CAS Name: (4-bromo-2-thiazolyl)-trimethylsilane
OPENEYE Name: (4-bromothiazol-2-yl)-trimethyl-silane
IUPAC Name: (4-bromo-1,3-thiazol-2-yl)-trimethylsilane
SYSTEMATIC NAME: (4-bromanyl-1,3-thiazol-2-yl)-trimethyl-silane
MOLECULAR FORMULA: C6H10BrNSSi
MOLECULAR WEIGHT: 236.2048
SMILES: C[Si](C)(C)C1=NC(=CS1)Br
Structure:
CAS RN: 61249-37-4
CAS Name: 6-chloro-N-(phenylmethyl)-1,3-benzothiazol-2-amine
OPENEYE Name: N-benzyl-6-chloro-1,3-benzothiazol-2-amine
IUPAC Name: N-benzyl-6-chloro-1,3-benzothiazol-2-amine
SYSTEMATIC NAME: 6-chloranyl-N-(phenylmethyl)-1,3-benzothiazol-2-amine
MOLECULAR FORMULA: C14H11ClN2S
MOLECULAR WEIGHT: 274.76854
SMILES: C1=CC=C(C=C1)CNC2=NC3=C(S2)C=C(C=C3)Cl
Structure:
CAS RN: 588696-83-7
CAS Name: 7-chloro-8-methyl-2-(3-pyridinyl)-4-quinolinecarboxylic acid
OPENEYE Name: 7-chloro-8-methyl-2-(3-pyridyl)quinoline-4-carboxylic acid
IUPAC Name: 7-chloro-8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid
SYSTEMATIC NAME: 7-chloranyl-8-methyl-2-pyridin-3-yl-quinoline-4-carboxylic acid
MOLECULAR FORMULA: C16H11ClN2O2
MOLECULAR WEIGHT: 298.72374
SMILES: CC1=C(C=CC2=C1N=C(C=C2C(=O)O)C3=CN=CC=C3)Cl
Structure:
CAS RN: 119778-68-6
CAS Name: 2-cyclopropyl-4-quinolinecarbohydrazide
OPENEYE Name: 2-cyclopropylquinoline-4-carbohydrazide
IUPAC Name: 2-cyclopropylquinoline-4-carbohydrazide
SYSTEMATIC NAME: 2-cyclopropylquinoline-4-carbohydrazide
MOLECULAR FORMULA: C13H13N3O
MOLECULAR WEIGHT: 227.26182
SMILES: C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)NN
Structure:
CAS RN: 102817-87-8
CAS Name: 3-amino-N-(4-chlorophenyl)-3-sulfanylidenepropanamide
OPENEYE Name: 3-amino-N-(4-chlorophenyl)-3-thioxo-propanamide
IUPAC Name: 3-amino-N-(4-chlorophenyl)-3-sulfanylidenepropanamide
SYSTEMATIC NAME: 3-azanyl-N-(4-chlorophenyl)-3-sulfanylidene-propanamide
MOLECULAR FORMULA: C9H9ClN2OS
MOLECULAR WEIGHT: 228.69856
SMILES: C1=CC(=CC=C1NC(=O)CC(=S)N)Cl
Structure:
CAS RN: 56354-57-5
CAS Name: 4-cyclohexylbenzenesulfonyl chloride
OPENEYE Name: 4-cyclohexylbenzenesulfonyl chloride
IUPAC Name: 4-cyclohexylbenzenesulfonyl chloride
SYSTEMATIC NAME: 4-cyclohexylbenzenesulfonyl chloride
MOLECULAR FORMULA: C12H15ClO2S
MOLECULAR WEIGHT: 258.7643
SMILES: C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)Cl
Structure:
CAS RN: 21352-19-2
CAS Name: N-(2-chloro-3-pyridinyl)acetamide
OPENEYE Name: N-(2-chloro-3-pyridyl)acetamide
IUPAC Name: N-(2-chloropyridin-3-yl)acetamide
SYSTEMATIC NAME: N-(2-chloranylpyridin-3-yl)ethanamide
MOLECULAR FORMULA: C7H7ClN2O
MOLECULAR WEIGHT: 170.59628
SMILES: CC(=O)NC1=C(N=CC=C1)Cl
Structure:
CAS RN: 15973-99-6
CAS Name: 1,3-dinitroso-1,3-diazinane
OPENEYE Name: 1,3-dinitrosohexahydropyrimidine
IUPAC Name: 1,3-dinitroso-1,3-diazinane
SYSTEMATIC NAME: 1,3-dinitroso-1,3-diazinane
MOLECULAR FORMULA: C4H8N4O2
MOLECULAR WEIGHT: 144.13192
SMILES: C1CN(CN(C1)N=O)N=O
Structure:
CAS RN: 5307-14-2
CAS Name: 2-nitrobenzene-1,4-diamine
OPENEYE Name: 2-nitrobenzene-1,4-diamine
IUPAC Name: 2-nitrobenzene-1,4-diamine
SYSTEMATIC NAME: 2-nitrobenzene-1,4-diamine
MOLECULAR FORMULA: C6H7N3O2
MOLECULAR WEIGHT: 153.13868
SMILES: C1=CC(=C(C=C1N)[N+](=O)[O-])N
Structure:
CAS RN: 29467-01-4
CAS Name: 2-nitrobenzene-1,4-diamine
OPENEYE Name: 2-nitrobenzene-1,4-diamine
IUPAC Name: 2-nitrobenzene-1,4-diamine
SYSTEMATIC NAME: 2-nitrobenzene-1,4-diamine
MOLECULAR FORMULA: C6H7N3O2
MOLECULAR WEIGHT: 153.13868
SMILES: C1=CC(=C(C=C1N)[N+](=O)[O-])N
Structure:
CAS RN: 439106-49-7
CAS Name: 4-(1H-pyrazol-4-yl)quinoline
OPENEYE Name: 4-(1H-pyrazol-4-yl)quinoline
IUPAC Name: 4-(1H-pyrazol-4-yl)quinoline
SYSTEMATIC NAME: 4-(1H-pyrazol-4-yl)quinoline
MOLECULAR FORMULA: C12H9N3
MOLECULAR WEIGHT: 195.21996
SMILES: C1=CC=C2C(=C1)C(=CC=N2)C3=CNN=C3
Structure:
CAS RN: 6654-69-9
CAS Name: 3-methyl-N-(3-methyl-2-pyridinyl)-2-pyridinamine
OPENEYE Name: 3-methyl-N-(3-methyl-2-pyridyl)pyridin-2-amine
IUPAC Name: 3-methyl-N-(3-methylpyridin-2-yl)pyridin-2-amine
SYSTEMATIC NAME: 3-methyl-N-(3-methylpyridin-2-yl)pyridin-2-amine
MOLECULAR FORMULA: C12H13N3
MOLECULAR WEIGHT: 199.25172
SMILES: CC1=C(N=CC=C1)NC2=C(C=CC=N2)C
Structure:
CAS RN: 13277-24-2
CAS Name: 2-[[benzamido(sulfanylidene)methyl]amino]benzoic acid
OPENEYE Name: 2-(benzoylcarbamothioylamino)benzoic acid
IUPAC Name: 2-(benzoylcarbamothioylamino)benzoic acid
SYSTEMATIC NAME: 2-(phenylcarbonylcarbamothioylamino)benzoic acid
MOLECULAR FORMULA: C15H12N2O3S
MOLECULAR WEIGHT: 300.33238
SMILES: C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)O
Structure:
CAS RN: 65765-78-8
CAS Name: 1-[[2-[hydroxy(phenyl)methyl]phenyl]methyl]-1,3-diazinane-2-thione
OPENEYE Name: 1-[[2-[hydroxy(phenyl)methyl]phenyl]methyl]hexahydropyrimidine-2-thione
IUPAC Name: 1-[[2-[hydroxy(phenyl)methyl]phenyl]methyl]-1,3-diazinane-2-thione
SYSTEMATIC NAME: 1-[[2-[oxidanyl(phenyl)methyl]phenyl]methyl]-1,3-diazinane-2-thione
MOLECULAR FORMULA: C18H20N2OS
MOLECULAR WEIGHT: 312.4292
SMILES: C1CNC(=S)N(C1)CC2=CC=CC=C2C(C3=CC=CC=C3)O
Structure:
CAS RN: 58349-08-9
CAS Name: 6-nonyl-2-sulfanylidene-1H-pyrimidin-4-one
OPENEYE Name: 6-nonyl-2-thioxo-1H-pyrimidin-4-one
IUPAC Name: 6-nonyl-2-sulfanylidene-1H-pyrimidin-4-one
SYSTEMATIC NAME: 6-nonyl-2-sulfanylidene-1H-pyrimidin-4-one
MOLECULAR FORMULA: C13H22N2OS
MOLECULAR WEIGHT: 254.39158
SMILES: CCCCCCCCCC1=CC(=O)NC(=S)N1
Structure:
CAS RN: 4441-63-8
CAS Name: 4-cyclohexylbutanoate
OPENEYE Name: 4-cyclohexylbutanoate
IUPAC Name: 4-cyclohexylbutanoate
SYSTEMATIC NAME: 4-cyclohexylbutanoate
MOLECULAR FORMULA: C10H17O2-
MOLECULAR WEIGHT: 169.24078
SMILES: C1CCC(CC1)CCCC(=O)[O-]
Structure:
CAS RN: 21076-10-8
CAS Name: 1-amino-3-methyl-1-phenylthiourea
OPENEYE Name: 1-amino-3-methyl-1-phenyl-thiourea
IUPAC Name: 1-amino-3-methyl-1-phenylthiourea
SYSTEMATIC NAME: 1-azanyl-3-methyl-1-phenyl-thiourea
MOLECULAR FORMULA: C8H11N3S
MOLECULAR WEIGHT: 181.25804
SMILES: CNC(=S)N(C1=CC=CC=C1)N
Structure:
CAS RN: 34683-38-0
CAS Name: N-[sulfanylidene-(1H-1,2,4-triazol-5-ylamino)methyl]carbamic acid ethyl ester
OPENEYE Name: ethyl N-(1H-1,2,4-triazol-5-ylcarbamothioyl)carbamate
IUPAC Name: ethyl N-(1H-1,2,4-triazol-5-ylcarbamothioyl)carbamate
SYSTEMATIC NAME: ethyl N-(1H-1,2,4-triazol-5-ylcarbamothioyl)carbamate
MOLECULAR FORMULA: C6H9N5O2S
MOLECULAR WEIGHT: 215.23296
SMILES: CCOC(=O)NC(=S)NC1=NC=NN1
Structure:
CAS RN: 7498-04-6
CAS Name: 1,3-bis(1-piperidinylmethyl)thiourea
OPENEYE Name: 1,3-bis(1-piperidylmethyl)thiourea
IUPAC Name: 1,3-bis(piperidin-1-ylmethyl)thiourea
SYSTEMATIC NAME: 1,3-bis(piperidin-1-ylmethyl)thiourea
MOLECULAR FORMULA: C13H26N4S
MOLECULAR WEIGHT: 270.43734
SMILES: C1CCN(CC1)CNC(=S)NCN2CCCCC2
Structure:
CAS RN: 155395-45-2
CAS Name: 2-(2-furanyl)benzonitrile
OPENEYE Name: 2-(2-furyl)benzonitrile
IUPAC Name: 2-(furan-2-yl)benzonitrile
SYSTEMATIC NAME: 2-(furan-2-yl)benzenecarbonitrile
MOLECULAR FORMULA: C11H7NO
MOLECULAR WEIGHT: 169.17938
SMILES: C1=CC=C(C(=C1)C#N)C2=CC=CO2
Structure:
CAS RN: 42902-14-7
CAS Name: 2-(4-amino-6-ethyl-2-methyl-5-pyrimidinyl)-5-nitrophenol
OPENEYE Name: 2-(4-amino-6-ethyl-2-methyl-pyrimidin-5-yl)-5-nitro-phenol
IUPAC Name: 2-(4-amino-6-ethyl-2-methylpyrimidin-5-yl)-5-nitrophenol
SYSTEMATIC NAME: 2-(4-azanyl-6-ethyl-2-methyl-pyrimidin-5-yl)-5-nitro-phenol
MOLECULAR FORMULA: C13H14N4O3
MOLECULAR WEIGHT: 274.27526
SMILES: CCC1=C(C(=NC(=N1)C)N)C2=C(C=C(C=C2)[N+](=O)[O-])O
Structure:
CAS RN: 6622-88-4
CAS Name: 1-[1-(4-aminophenyl)ethylideneamino]-3-(2-methylpropyl)thiourea
OPENEYE Name: 1-[1-(4-aminophenyl)ethylideneamino]-3-isobutyl-thiourea
IUPAC Name: 1-[1-(4-aminophenyl)ethylideneamino]-3-(2-methylpropyl)thiourea
SYSTEMATIC NAME: 1-[1-(4-aminophenyl)ethylideneamino]-3-(2-methylpropyl)thiourea
MOLECULAR FORMULA: C13H20N4S
MOLECULAR WEIGHT: 264.3897
SMILES: CC(C)CNC(=S)NN=C(C)C1=CC=C(C=C1)N
Structure:
CAS RN: 77085-33-7
CAS Name: 3,7-dinitro-10H-pyrazino[2,3-b][1,4]benzothiazine 5-oxide
OPENEYE Name: 3,7-dinitro-10H-pyrazino[2,3-b][1,4]benzothiazine 5-oxide
IUPAC Name: 3,7-dinitro-10H-pyrazino[2,3-b][1,4]benzothiazine 5-oxide
SYSTEMATIC NAME: 3,7-dinitro-10H-pyrazino[2,3-b][1,4]benzothiazine 5-oxide
MOLECULAR FORMULA: C10H5N5O5S
MOLECULAR WEIGHT: 307.2422
SMILES: C1=CC2=C(C=C1[N+](=O)[O-])S(=O)C3=NC(=CN=C3N2)[N+](=O)[O-]
Structure:
CAS RN: 26155-59-9
CAS Name: N-(1-phenylpropylideneamino)carbamodithioic acid methyl ester
OPENEYE Name: methyl N-(1-phenylpropylideneamino)carbamodithioate
IUPAC Name: methyl N-(1-phenylpropylideneamino)carbamodithioate
SYSTEMATIC NAME: methyl N-(1-phenylpropylideneamino)carbamodithioate
MOLECULAR FORMULA: C11H14N2S2
MOLECULAR WEIGHT: 238.37226
SMILES: CCC(=NNC(=S)SC)C1=CC=CC=C1
Structure:
CAS RN: 31349-14-1
CAS Name: N-[[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl]methylideneamino]-4-pyridinecarboxamide
OPENEYE Name: N-[[5-[(4-chlorophenyl)methyl]-4-oxo-2-thioxo-1H-pyrimidin-6-yl]methyleneamino]pyridine-4-carboxamide
IUPAC Name: N-[[5-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl]methylideneamino]pyridine-4-carboxamide
SYSTEMATIC NAME: N-[[5-[(4-chlorophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-yl]methylideneamino]pyridine-4-carboxamide
MOLECULAR FORMULA: C18H14ClN5O2S
MOLECULAR WEIGHT: 399.85406
SMILES: C1=CC(=CC=C1CC2=C(NC(=S)NC2=O)C=NNC(=O)C3=CC=NC=C3)Cl
Structure:
CAS RN: 90000-67-2
CAS Name: 2,6-dimethyl-1H-pyridine-4-thione
OPENEYE Name: 2,6-dimethyl-1H-pyridine-4-thione
IUPAC Name: 2,6-dimethyl-1H-pyridine-4-thione
SYSTEMATIC NAME: 2,6-dimethyl-1H-pyridine-4-thione
MOLECULAR FORMULA: C7H9NS
MOLECULAR WEIGHT: 139.21806
SMILES: CC1=CC(=S)C=C(N1)C
Structure:
CAS RN: 13164-82-4
CAS Name: 4-amino-5-(2-methylpropyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid
OPENEYE Name: 4-amino-5-isobutyl-2-thioxo-1H-pyrimidine-6-carboxylic acid
IUPAC Name: 4-amino-5-(2-methylpropyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid
SYSTEMATIC NAME: 4-azanyl-5-(2-methylpropyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid
MOLECULAR FORMULA: C9H13N3O2S
MOLECULAR WEIGHT: 227.28342
SMILES: CC(C)CC1=C(NC(=S)N=C1N)C(=O)O
Structure:
CAS RN: 76055-35-1
CAS Name: N-[[5-amino-1-(phenylmethyl)-4-triazolyl]methyl]carbamodithioic acid methyl ester
OPENEYE Name: methyl N-[(5-amino-1-benzyl-triazol-4-yl)methyl]carbamodithioate
IUPAC Name: methyl N-[(5-amino-1-benzyltriazol-4-yl)methyl]carbamodithioate
SYSTEMATIC NAME: methyl N-[[5-azanyl-1-(phenylmethyl)-1,2,3-triazol-4-yl]methyl]carbamodithioate
MOLECULAR FORMULA: C12H15N5S2
MOLECULAR WEIGHT: 293.411
SMILES: CSC(=S)NCC1=C(N(N=N1)CC2=CC=CC=C2)N
Structure:
CAS RN: 37560-93-3
CAS Name: N-[ethoxy-(methanethioylamino)phosphoryl]-1-aziridinecarbothioamide
OPENEYE Name: N-[ethoxy-(methanethioylamino)phosphoryl]aziridine-1-carbothioamide
IUPAC Name: N-[ethoxy-(methanethioylamino)phosphoryl]aziridine-1-carbothioamide
SYSTEMATIC NAME: N-[ethoxy-(methanethioylamino)phosphoryl]aziridine-1-carbothioamide
MOLECULAR FORMULA: C6H12N3O2PS2
MOLECULAR WEIGHT: 253.282141
SMILES: CCOP(=O)(NC=S)NC(=S)N1CC1
Structure:
CAS RN: 74607-21-9
CAS Name: 5-(3-methylbutyl)-5-(1-methylethenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
OPENEYE Name: 5-isopentyl-5-isopropenyl-2-thioxo-hexahydropyrimidine-4,6-dione
IUPAC Name: 5-(3-methylbutyl)-5-prop-1-en-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
SYSTEMATIC NAME: 5-(3-methylbutyl)-5-prop-1-en-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
MOLECULAR FORMULA: C12H18N2O2S
MOLECULAR WEIGHT: 254.34852
SMILES: CC(C)CCC1(C(=O)NC(=S)NC1=O)C(=C)C
Structure:
CAS RN: 6311-04-2
CAS Name: 1-(5-nitro-2-pyridinyl)-2-[4-[(5-nitro-2-pyridinyl)azo]-1-anthracenyl]hydrazine
OPENEYE Name: 1-(5-nitro-2-pyridyl)-2-[4-[(5-nitro-2-pyridyl)azo]-1-anthryl]hydrazine
IUPAC Name: 1-(5-nitropyridin-2-yl)-2-[4-[(5-nitropyridin-2-yl)diazenyl]anthracen-1-yl]hydrazine
SYSTEMATIC NAME: 1-(5-nitropyridin-2-yl)-2-[4-[(5-nitropyridin-2-yl)diazenyl]anthracen-1-yl]diazane
MOLECULAR FORMULA: C24H16N8O4
MOLECULAR WEIGHT: 480.43504
SMILES: C1=CC=C2C=C3C(=CC=C(C3=CC2=C1)NNC4=NC=C(C=C4)[N+](=O)[O-])N=NC5=NC=C(C=C5)[N+](=O)[O-]
Structure:
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