CAS RN: 5843-39-0
CAS Name: (2-methoxyphenyl)-(1-piperidinyl)methanethione
OPENEYE Name: (2-methoxyphenyl)-(1-piperidyl)methanethione
IUPAC Name: (2-methoxyphenyl)-piperidin-1-ylmethanethione
SYSTEMATIC NAME: (2-methoxyphenyl)-piperidin-1-yl-methanethione
MOLECULAR FORMULA: C13H17NOS
MOLECULAR WEIGHT: 235.34518
SMILES: COC1=CC=CC=C1C(=S)N2CCCCC2
Structure:
CAS RN: 102714-95-4
CAS Name: 2-amino-N-(2,5-dimethylphenyl)benzamide
OPENEYE Name: 2-amino-N-(2,5-dimethylphenyl)benzamide
IUPAC Name: 2-amino-N-(2,5-dimethylphenyl)benzamide
SYSTEMATIC NAME: 2-azanyl-N-(2,5-dimethylphenyl)benzamide
MOLECULAR FORMULA: C15H16N2O
MOLECULAR WEIGHT: 240.30034
SMILES: CC1=CC(=C(C=C1)C)NC(=O)C2=CC=CC=C2N
Structure:
CAS RN: 26033-20-5
CAS Name: 5-phenyl-1H-pyrazole-4-carboxaldehyde
OPENEYE Name: 5-phenyl-1H-pyrazole-4-carbaldehyde
IUPAC Name: 5-phenyl-1H-pyrazole-4-carbaldehyde
SYSTEMATIC NAME: 5-phenyl-1H-pyrazole-4-carbaldehyde
MOLECULAR FORMULA: C10H8N2O
MOLECULAR WEIGHT: 172.18332
SMILES: C1=CC=C(C=C1)C2=C(C=NN2)C=O
Structure:
CAS RN: 4404-90-4
CAS Name: 2-[[[(2-carboxyphenyl)-oxomethyl]hydrazo]-oxomethyl]benzoic acid
OPENEYE Name: 2-[[(2-carboxybenzoyl)amino]carbamoyl]benzoic acid
IUPAC Name: 2-[[(2-carboxybenzoyl)amino]carbamoyl]benzoic acid
SYSTEMATIC NAME: 2-[[(2-carboxyphenyl)carbonylamino]carbamoyl]benzoic acid
MOLECULAR FORMULA: C16H12N2O6
MOLECULAR WEIGHT: 328.27628
SMILES: C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=CC=C2C(=O)O)C(=O)O
Structure:
CAS RN: 56242-67-2
CAS Name: N-(4-methoxyphenyl)-4,5-dihydrothiazol-2-amine
OPENEYE Name: N-(4-methoxyphenyl)-4,5-dihydrothiazol-2-amine
IUPAC Name: N-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SYSTEMATIC NAME: N-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine
MOLECULAR FORMULA: C10H12N2OS
MOLECULAR WEIGHT: 208.28008
SMILES: COC1=CC=C(C=C1)NC2=NCCS2
Structure:
CAS RN: 50593-92-5
CAS Name: 5-bromo-2-(methylthio)-4-pyrimidinecarboxylic acid
OPENEYE Name: 5-bromo-2-methylsulfanyl-pyrimidine-4-carboxylic acid
IUPAC Name: 5-bromo-2-methylsulfanylpyrimidine-4-carboxylic acid
SYSTEMATIC NAME: 5-bromanyl-2-methylsulfanyl-pyrimidine-4-carboxylic acid
MOLECULAR FORMULA: C6H5BrN2O2S
MOLECULAR WEIGHT: 249.0851
SMILES: CSC1=NC=C(C(=N1)C(=O)O)Br
Structure:
CAS RN: 52130-86-6
CAS Name: 1-(1-hydroxycyclopentyl)-1-cyclopentanol
OPENEYE Name: 1-(1-hydroxycyclopentyl)cyclopentanol
IUPAC Name: 1-(1-hydroxycyclopentyl)cyclopentan-1-ol
SYSTEMATIC NAME: 1-(1-oxidanylcyclopentyl)cyclopentan-1-ol
MOLECULAR FORMULA: C10H18O2
MOLECULAR WEIGHT: 170.24872
SMILES: C1CCC(C1)(C2(CCCC2)O)O
Structure:
CAS RN: 50998-74-8
CAS Name: 3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylic acid O2-ethyl ester O4-(phenylmethyl) ester
OPENEYE Name: O4-benzyl O2-ethyl 3-(3-ethoxy-3-oxo-propyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate
IUPAC Name: 4-O-benzyl 2-O-ethyl 3-(3-ethoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate
SYSTEMATIC NAME: O2-ethyl O4-(phenylmethyl) 3-(3-ethoxy-3-oxidanylidene-propyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate
MOLECULAR FORMULA: C21H25NO6
MOLECULAR WEIGHT: 387.4263
SMILES: CCOC(=O)CCC1=C(NC(=C1C(=O)OCC2=CC=CC=C2)C)C(=O)OCC
Structure:
CAS RN: 54278-10-3
CAS Name: 4-(3-ethoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester
OPENEYE Name: ethyl 4-(3-ethoxy-3-oxo-propyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
IUPAC Name: ethyl 4-(3-ethoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
SYSTEMATIC NAME: ethyl 4-(3-ethoxy-3-oxidanylidene-propyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
MOLECULAR FORMULA: C14H21NO4
MOLECULAR WEIGHT: 267.32084
SMILES: CCOC(=O)CCC1=C(NC(=C1C)C(=O)OCC)C
Structure:
CAS RN: 41802-13-5
CAS Name: 6-[(4-chlorophenyl)methyl]-7-azabicyclo[4.1.0]heptane
OPENEYE Name: 6-[(4-chlorophenyl)methyl]-7-azabicyclo[4.1.0]heptane
IUPAC Name: 6-[(4-chlorophenyl)methyl]-7-azabicyclo[4.1.0]heptane
SYSTEMATIC NAME: 6-[(4-chlorophenyl)methyl]-7-azabicyclo[4.1.0]heptane
MOLECULAR FORMULA: C13H16ClN
MOLECULAR WEIGHT: 221.72584
SMILES: C1CCC2(C(C1)N2)CC3=CC=C(C=C3)Cl
Structure:
CAS RN: 34254-03-0
CAS Name: 2,5-dihydroxy-8-methoxy-1,2-dimethyl-6-benzo[e]benzofuranone
OPENEYE Name: 2,5-dihydroxy-8-methoxy-1,2-dimethyl-benzo[e]benzofuran-6-one
IUPAC Name: 2,5-dihydroxy-8-methoxy-1,2-dimethylbenzo[e][1]benzofuran-6-one
SYSTEMATIC NAME: 8-methoxy-1,2-dimethyl-2,5-bis(oxidanyl)benzo[e][1]benzofuran-6-one
MOLECULAR FORMULA: C15H14O5
MOLECULAR WEIGHT: 274.26866
SMILES: CC1=C2C3=CC(=CC(=O)C3=C(C=C2OC1(C)O)O)OC
Structure:
CAS RN: 41303-68-8
CAS Name: 4-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)-4-oxobutanoic acid
OPENEYE Name: 4-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)-4-oxo-butanoic acid
IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)-4-oxobutanoic acid
SYSTEMATIC NAME: 4-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C19H18O7
MOLECULAR WEIGHT: 358.34202
SMILES: COC1=C(C=C(C=C1)C(CC(=O)C2=CC3=C(C=C2)OCO3)C(=O)O)OC
Structure:
CAS RN: 50793-59-4
CAS Name: acetic acid [3,4,5-triacetyloxy-6-(dimethylarsinothio)-2-oxanyl]methyl ester
OPENEYE Name: (3,4,5-triacetoxy-6-dimethylarsanylsulfanyl-tetrahydropyran-2-yl)methyl acetate
IUPAC Name: (3,4,5-triacetyloxy-6-dimethylarsanylsulfanyloxan-2-yl)methyl acetate
SYSTEMATIC NAME: (3,4,5-triacetyloxy-6-dimethylarsanylsulfanyl-oxan-2-yl)methyl ethanoate
MOLECULAR FORMULA: C16H25AsO9S
MOLECULAR WEIGHT: 468.3509
SMILES: CC(=O)OCC1C(C(C(C(O1)S[As](C)C)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 3846-28-4
CAS Name: N-propan-2-ylidenebenzenesulfenamide
OPENEYE Name: N-phenylsulfanylpropan-2-imine
IUPAC Name: N-phenylsulfanylpropan-2-imine
SYSTEMATIC NAME: N-phenylsulfanylpropan-2-imine
MOLECULAR FORMULA: C9H11NS
MOLECULAR WEIGHT: 165.25534
SMILES: CC(=NSC1=CC=CC=C1)C
Structure:
CAS RN: 27332-20-3
CAS Name: 2-amino-N-phenylbenzenesulfonamide
OPENEYE Name: 2-amino-N-phenyl-benzenesulfonamide
IUPAC Name: 2-amino-N-phenylbenzenesulfonamide
SYSTEMATIC NAME: 2-azanyl-N-phenyl-benzenesulfonamide
MOLECULAR FORMULA: C12H12N2O2S
MOLECULAR WEIGHT: 248.30088
SMILES: C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2N
Structure:
CAS RN: 274-95-3
CAS Name: 2-amino-N-phenylbenzenesulfonamide
OPENEYE Name: 2-amino-N-phenyl-benzenesulfonamide
IUPAC Name: 2-amino-N-phenylbenzenesulfonamide
SYSTEMATIC NAME: 2-azanyl-N-phenyl-benzenesulfonamide
MOLECULAR FORMULA: C12H12N2O2S
MOLECULAR WEIGHT: 248.30088
SMILES: C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2N
Structure:
CAS RN: 14985-27-4
CAS Name: 4-methyl-N-phenylbenzenesulfenamide
OPENEYE Name: N-(p-tolylsulfanyl)aniline
IUPAC Name: N-(4-methylphenyl)sulfanylaniline
SYSTEMATIC NAME: N-(4-methylphenyl)sulfanylaniline
MOLECULAR FORMULA: C13H13NS
MOLECULAR WEIGHT: 215.31402
SMILES: CC1=CC=C(C=C1)SNC2=CC=CC=C2
Structure:
CAS RN: 2622-74-4
CAS Name: N-(4-chloro-3-oxo-1-phenylbutan-2-yl)carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-(1-benzyl-3-chloro-2-oxo-propyl)carbamate
IUPAC Name: benzyl N-(4-chloro-3-oxo-1-phenylbutan-2-yl)carbamate
SYSTEMATIC NAME: (phenylmethyl) N-(4-chloranyl-3-oxidanylidene-1-phenyl-butan-2-yl)carbamate
MOLECULAR FORMULA: C18H18ClNO3
MOLECULAR WEIGHT: 331.79342
SMILES: C1=CC=C(C=C1)CC(C(=O)CCl)NC(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 60326-61-6
CAS Name: acetic acid [2-[1-acetyloxy-2-(acetylthio)ethyl]-4-(ethylthio)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl] ester
OPENEYE Name: [2-(1-acetoxy-2-acetylsulfanyl-ethyl)-4-ethylsulfanyl-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] acetate
IUPAC Name: [2-(1-acetyloxy-2-acetylsulfanylethyl)-4-ethylsulfanyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
SYSTEMATIC NAME: [2-(1-acetyloxy-2-ethanoylsulfanyl-ethyl)-4-ethylsulfanyl-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl] ethanoate
MOLECULAR FORMULA: C19H26N2O8S2
MOLECULAR WEIGHT: 474.54834
SMILES: CCSC1C(C(OC1N2C=C(C(=O)NC2=O)C)C(CSC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 60324-95-0
CAS Name: acetic acid [2-(1-acetyloxy-2-iodoethyl)-4-(ethylthio)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl] ester
OPENEYE Name: [2-(1-acetoxy-2-iodo-ethyl)-4-ethylsulfanyl-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] acetate
IUPAC Name: [2-(1-acetyloxy-2-iodoethyl)-4-ethylsulfanyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
SYSTEMATIC NAME: [2-(1-acetyloxy-2-iodanyl-ethyl)-4-ethylsulfanyl-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl] ethanoate
MOLECULAR FORMULA: C17H23IN2O7S
MOLECULAR WEIGHT: 526.34319
SMILES: CCSC1C(C(OC1N2C=C(C(=O)NC2=O)C)C(CI)OC(=O)C)OC(=O)C
Structure:
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