CAS RN: 4548-27-0
CAS Name: (3,5-ditert-butylphenyl)-(1-pyrrolidinyl)methanone
OPENEYE Name: (3,5-ditert-butylphenyl)-pyrrolidin-1-yl-methanone
IUPAC Name: (3,5-ditert-butylphenyl)-pyrrolidin-1-ylmethanone
SYSTEMATIC NAME: (3,5-ditert-butylphenyl)-pyrrolidin-1-yl-methanone
MOLECULAR FORMULA: C19H29NO
MOLECULAR WEIGHT: 287.43966
SMILES: CC(C)(C)C1=CC(=CC(=C1)C(=O)N2CCCC2)C(C)(C)C
Structure:
CAS RN: 401581-33-7
CAS Name: 1-[(3-chlorophenyl)-oxomethyl]-4-piperidinecarboxylic acid
OPENEYE Name: 1-(3-chlorobenzoyl)piperidine-4-carboxylic acid
IUPAC Name: 1-(3-chlorobenzoyl)piperidine-4-carboxylic acid
SYSTEMATIC NAME: 1-(3-chlorophenyl)carbonylpiperidine-4-carboxylic acid
MOLECULAR FORMULA: C13H14ClNO3
MOLECULAR WEIGHT: 267.70816
SMILES: C1CN(CCC1C(=O)O)C(=O)C2=CC(=CC=C2)Cl
Structure:
CAS RN: 90536-08-6
CAS Name: 1-[(2,4-dichlorophenyl)methyl]-3-phenylthiourea
OPENEYE Name: 1-[(2,4-dichlorophenyl)methyl]-3-phenyl-thiourea
IUPAC Name: 1-[(2,4-dichlorophenyl)methyl]-3-phenylthiourea
SYSTEMATIC NAME: 1-[(2,4-dichlorophenyl)methyl]-3-phenyl-thiourea
MOLECULAR FORMULA: C14H12Cl2N2S
MOLECULAR WEIGHT: 311.22948
SMILES: C1=CC=C(C=C1)NC(=S)NCC2=C(C=C(C=C2)Cl)Cl
Structure:
CAS RN: 6303-45-3
CAS Name: 1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
OPENEYE Name: 1-(3-ethoxyphenyl)-2-thioxo-hexahydropyrimidine-4,6-dione
IUPAC Name: 1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
SYSTEMATIC NAME: 1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
MOLECULAR FORMULA: C12H12N2O3S
MOLECULAR WEIGHT: 264.30028
SMILES: CCOC1=CC=CC(=C1)N2C(=O)CC(=O)NC2=S
Structure:
CAS RN: 137987-89-4
CAS Name: 1-(2,4-dihydroxyphenyl)-2-(4-nitrophenoxy)ethanone
OPENEYE Name: 1-(2,4-dihydroxyphenyl)-2-(4-nitrophenoxy)ethanone
IUPAC Name: 1-(2,4-dihydroxyphenyl)-2-(4-nitrophenoxy)ethanone
SYSTEMATIC NAME: 1-[2,4-bis(oxidanyl)phenyl]-2-(4-nitrophenoxy)ethanone
MOLECULAR FORMULA: C14H11NO6
MOLECULAR WEIGHT: 289.24024
SMILES: C1=CC(=CC=C1[N+](=O)[O-])OCC(=O)C2=C(C=C(C=C2)O)O
Structure:
CAS RN: 137987-82-7
CAS Name: 1-(2,4-dihydroxyphenyl)-2-(2-fluorophenoxy)ethanone
OPENEYE Name: 1-(2,4-dihydroxyphenyl)-2-(2-fluorophenoxy)ethanone
IUPAC Name: 1-(2,4-dihydroxyphenyl)-2-(2-fluorophenoxy)ethanone
SYSTEMATIC NAME: 1-[2,4-bis(oxidanyl)phenyl]-2-(2-fluoranylphenoxy)ethanone
MOLECULAR FORMULA: C14H11FO4
MOLECULAR WEIGHT: 262.233143
SMILES: C1=CC=C(C(=C1)OCC(=O)C2=C(C=C(C=C2)O)O)F
Structure:
CAS RN: 97317-28-7
CAS Name: 4-methoxy-N-(4-methylphenyl)benzenecarbothioamide
OPENEYE Name: 4-methoxy-N-(p-tolyl)benzenecarbothioamide
IUPAC Name: 4-methoxy-N-(4-methylphenyl)benzenecarbothioamide
SYSTEMATIC NAME: 4-methoxy-N-(4-methylphenyl)benzenecarbothioamide
MOLECULAR FORMULA: C15H15NOS
MOLECULAR WEIGHT: 257.3507
SMILES: CC1=CC=C(C=C1)NC(=S)C2=CC=C(C=C2)OC
Structure:
CAS RN: 6650-79-9
CAS Name: (E)-1-(2,3-dihydroindol-1-yl)-3-thiophen-2-yl-2-propen-1-one
OPENEYE Name: (E)-1-indolin-1-yl-3-(2-thienyl)prop-2-en-1-one
IUPAC Name: (E)-1-(2,3-dihydroindol-1-yl)-3-thiophen-2-ylprop-2-en-1-one
SYSTEMATIC NAME: (E)-1-(2,3-dihydroindol-1-yl)-3-thiophen-2-yl-prop-2-en-1-one
MOLECULAR FORMULA: C15H13NOS
MOLECULAR WEIGHT: 255.33482
SMILES: C1CN(C2=CC=CC=C21)C(=O)/C=C/C3=CC=CS3
Structure:
CAS RN: 6640-65-9
CAS Name: (E)-3-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-2-propenoic acid
OPENEYE Name: (E)-3-(4-methyl-3-morpholinosulfonyl-phenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(4-methyl-3-morpholin-4-ylsulfonylphenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)prop-2-enoic acid
MOLECULAR FORMULA: C14H17NO5S
MOLECULAR WEIGHT: 311.35348
SMILES: CC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)N2CCOCC2
Structure:
CAS RN: 6627-98-1
CAS Name: 4-[(3-methylphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 4-(m-tolylmethyleneamino)-3-phenyl-1H-1,2,4-triazole-5-thione
IUPAC Name: 4-[(3-methylphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-[(3-methylphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C16H14N4S
MOLECULAR WEIGHT: 294.37416
SMILES: CC1=CC=CC(=C1)C=NN2C(=NNC2=S)C3=CC=CC=C3
Structure:
CAS RN: 6624-08-4
CAS Name: (2-chloro-4-nitrophenyl)-phenylmethanone
OPENEYE Name: (2-chloro-4-nitro-phenyl)-phenyl-methanone
IUPAC Name: (2-chloro-4-nitrophenyl)-phenylmethanone
SYSTEMATIC NAME: (2-chloranyl-4-nitro-phenyl)-phenyl-methanone
MOLECULAR FORMULA: C13H8ClNO3
MOLECULAR WEIGHT: 261.66052
SMILES: C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl
Structure:
CAS RN: 6603-79-8
CAS Name: 4-tert-butyl-N-[(2-hydroxy-4-methylanilino)-sulfanylidenemethyl]benzamide
OPENEYE Name: 4-tert-butyl-N-[(2-hydroxy-4-methyl-phenyl)carbamothioyl]benzamide
IUPAC Name: 4-tert-butyl-N-[(2-hydroxy-4-methylphenyl)carbamothioyl]benzamide
SYSTEMATIC NAME: 4-tert-butyl-N-[(4-methyl-2-oxidanyl-phenyl)carbamothioyl]benzamide
MOLECULAR FORMULA: C19H22N2O2S
MOLECULAR WEIGHT: 342.45518
SMILES: CC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C)O
Structure:
CAS RN: 6601-70-3
CAS Name: 2-[[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester
OPENEYE Name: methyl 2-[(2-phenylacetyl)carbamothioylamino]benzoate
IUPAC Name: methyl 2-[(2-phenylacetyl)carbamothioylamino]benzoate
SYSTEMATIC NAME: methyl 2-(2-phenylethanoylcarbamothioylamino)benzoate
MOLECULAR FORMULA: C17H16N2O3S
MOLECULAR WEIGHT: 328.38554
SMILES: COC(=O)C1=CC=CC=C1NC(=S)NC(=O)CC2=CC=CC=C2
Structure:
CAS RN: 428856-24-0
CAS Name: 3-(1H-benzimidazol-2-yl)-2-methylaniline
OPENEYE Name: 3-(1H-benzimidazol-2-yl)-2-methyl-aniline
IUPAC Name: 3-(1H-benzimidazol-2-yl)-2-methylaniline
SYSTEMATIC NAME: 3-(1H-benzimidazol-2-yl)-2-methyl-aniline
MOLECULAR FORMULA: C14H13N3
MOLECULAR WEIGHT: 223.27312
SMILES: CC1=C(C=CC=C1N)C2=NC3=CC=CC=C3N2
Structure:
CAS RN: 548-08-3
CAS Name: (E)-1,4-bis(4-methylphenyl)-2-butene-1,4-dione
OPENEYE Name: (E)-1,4-bis(p-tolyl)but-2-ene-1,4-dione
IUPAC Name: (E)-1,4-bis(4-methylphenyl)but-2-ene-1,4-dione
SYSTEMATIC NAME: (E)-1,4-bis(4-methylphenyl)but-2-ene-1,4-dione
MOLECULAR FORMULA: C18H16O2
MOLECULAR WEIGHT: 264.31844
SMILES: CC1=CC=C(C=C1)C(=O)/C=C/C(=O)C2=CC=C(C=C2)C
Structure:
CAS RN: 6625-19-0
CAS Name: 1-(2,4-difluorophenyl)-3-(3-methyl-2-pyridinyl)urea
OPENEYE Name: 1-(2,4-difluorophenyl)-3-(3-methyl-2-pyridyl)urea
IUPAC Name: 1-(2,4-difluorophenyl)-3-(3-methylpyridin-2-yl)urea
SYSTEMATIC NAME: 1-[2,4-bis(fluoranyl)phenyl]-3-(3-methylpyridin-2-yl)urea
MOLECULAR FORMULA: C13H11F2N3O
MOLECULAR WEIGHT: 263.242746
SMILES: CC1=C(N=CC=C1)NC(=O)NC2=C(C=C(C=C2)F)F
Structure:
CAS RN: 65104-32-7
CAS Name: (E)-3-(6-fluoro-4-oxo-1-benzopyran-3-yl)-2-propenoic acid
OPENEYE Name: (E)-3-(6-fluoro-4-oxo-chromen-3-yl)prop-2-enoic acid
IUPAC Name: (E)-3-(6-fluoro-4-oxochromen-3-yl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(6-fluoranyl-4-oxidanylidene-chromen-3-yl)prop-2-enoic acid
MOLECULAR FORMULA: C12H7FO4
MOLECULAR WEIGHT: 234.179983
SMILES: C1=CC2=C(C=C1F)C(=O)C(=CO2)/C=C/C(=O)O
Structure:
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