CAS RN: 28975-80-6
CAS Name: prop-1-enylsulfonylbenzene
OPENEYE Name: prop-1-enylsulfonylbenzene
IUPAC Name: prop-1-enylsulfonylbenzene
SYSTEMATIC NAME: prop-1-enylsulfonylbenzene
MOLECULAR FORMULA: C9H10O2S
MOLECULAR WEIGHT: 182.2395
SMILES: CC=CS(=O)(=O)C1=CC=CC=C1
Structure:
CAS RN: 1465-09-4
CAS Name: 10-methyl-4,10-diazabicyclo[4.3.1]decan-3-one
OPENEYE Name: 10-methyl-4,10-diazabicyclo[4.3.1]decan-3-one
IUPAC Name: 10-methyl-4,10-diazabicyclo[4.3.1]decan-3-one
SYSTEMATIC NAME: 10-methyl-4,10-diazabicyclo[4.3.1]decan-3-one
MOLECULAR FORMULA: C9H16N2O
MOLECULAR WEIGHT: 168.23614
SMILES: CN1C2CCCC1CNC(=O)C2
Structure:
CAS RN: 27919-85-3
CAS Name: 1,11-dimethyl-5,7-dihydrobenzo[d][2]benzothiepin
OPENEYE Name: 1,11-dimethyl-5,7-dihydrobenzo[d][2]benzothiepine
IUPAC Name: 1,11-dimethyl-5,7-dihydrobenzo[d][2]benzothiepine
SYSTEMATIC NAME: 1,11-dimethyl-5,7-dihydrobenzo[d][2]benzothiepine
MOLECULAR FORMULA: C16H16S
MOLECULAR WEIGHT: 240.36324
SMILES: CC1=CC=CC2=C1C3=C(CSC2)C=CC=C3C
Structure:
CAS RN: 1913-90-2
CAS Name: 2,6-dimercapto-3,5-diphenyl-4-thiopyranone
OPENEYE Name: 3,5-diphenyl-2,6-bis(sulfanyl)thiopyran-4-one
IUPAC Name: 3,5-diphenyl-2,6-bis(sulfanyl)thiopyran-4-one
SYSTEMATIC NAME: 3,5-diphenyl-2,6-bis(sulfanyl)thiopyran-4-one
MOLECULAR FORMULA: C17H12OS3
MOLECULAR WEIGHT: 328.47158
SMILES: C1=CC=C(C=C1)C2=C(SC(=C(C2=O)C3=CC=CC=C3)S)S
Structure:
CAS RN: 16862-11-6
CAS Name: 3-(1-piperidinyl)-2-(1-piperidinylmethyl)thietane 1,1-dioxide
OPENEYE Name: 3-(1-piperidyl)-2-(1-piperidylmethyl)thietane 1,1-dioxide
IUPAC Name: 3-piperidin-1-yl-2-(piperidin-1-ylmethyl)thietane 1,1-dioxide
SYSTEMATIC NAME: 3-piperidin-1-yl-2-(piperidin-1-ylmethyl)thietane 1,1-dioxide
MOLECULAR FORMULA: C14H26N2O2S
MOLECULAR WEIGHT: 286.43344
SMILES: C1CCN(CC1)CC2C(CS2(=O)=O)N3CCCCC3
Structure:
CAS RN: 23430-95-7
CAS Name: N,N-diethyl-8,8-dimethyl-7,7-dioxo-7$l^{6}-thiabicyclo[4.2.0]oct-3-en-5-amine
OPENEYE Name: N,N-diethyl-8,8-dimethyl-7,7-dioxo-7$l^{6}-thiabicyclo[4.2.0]oct-3-en-5-amine
IUPAC Name: N,N-diethyl-8,8-dimethyl-7,7-dioxo-7$l^{6}-thiabicyclo[4.2.0]oct-3-en-5-amine
SYSTEMATIC NAME: N,N-diethyl-8,8-dimethyl-7,7-bis(oxidanylidene)-7$l^{6}-thiabicyclo[4.2.0]oct-3-en-5-amine
MOLECULAR FORMULA: C13H23NO2S
MOLECULAR WEIGHT: 257.39222
SMILES: CCN(CC)C1C=CCC2C1S(=O)(=O)C2(C)C
Structure:
CAS RN: 1687-48-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H18O2S
MOLECULAR WEIGHT: 370.46352
SMILES: C1C2C3=CC=CC=C3C(C14C=C(S4(=O)=O)C5=CC=CC=C5)C6=CC=CC=C26
Structure:
CAS RN: 56862-92-1
CAS Name: methanesulfonic acid [2-ethyl-2-(methylsulfonyloxymethyl)butyl] ester
OPENEYE Name: [2-ethyl-2-(methylsulfonyloxymethyl)butyl] methanesulfonate
IUPAC Name: [2-ethyl-2-(methylsulfonyloxymethyl)butyl] methanesulfonate
SYSTEMATIC NAME: [2-ethyl-2-(methylsulfonyloxymethyl)butyl] methanesulfonate
MOLECULAR FORMULA: C9H20O6S2
MOLECULAR WEIGHT: 288.3815
SMILES: CCC(CC)(COS(=O)(=O)C)COS(=O)(=O)C
Structure:
CAS RN: 26536-94-7
CAS Name: 1-benzoyl-3-chloro-2-azepanone
OPENEYE Name: 1-benzoyl-3-chloro-azepan-2-one
IUPAC Name: 1-benzoyl-3-chloroazepan-2-one
SYSTEMATIC NAME: 3-chloranyl-1-(phenylcarbonyl)azepan-2-one
MOLECULAR FORMULA: C13H14ClNO2
MOLECULAR WEIGHT: 251.70876
SMILES: C1CCN(C(=O)C(C1)Cl)C(=O)C2=CC=CC=C2
Structure:
CAS RN: 879-22-1
CAS Name: 1-ethyl-3,5,7-trimethyl-3H-azepin-2-one
OPENEYE Name: 1-ethyl-3,5,7-trimethyl-3H-azepin-2-one
IUPAC Name: 1-ethyl-3,5,7-trimethyl-3H-azepin-2-one
SYSTEMATIC NAME: 1-ethyl-3,5,7-trimethyl-3H-azepin-2-one
MOLECULAR FORMULA: C11H17NO
MOLECULAR WEIGHT: 179.25878
SMILES: CCN1C(=CC(=CC(C1=O)C)C)C
Structure:
CAS RN: 877-16-7
CAS Name: 1,3,5,7-tetramethyl-3H-azepin-2-one
OPENEYE Name: 1,3,5,7-tetramethyl-3H-azepin-2-one
IUPAC Name: 1,3,5,7-tetramethyl-3H-azepin-2-one
SYSTEMATIC NAME: 1,3,5,7-tetramethyl-3H-azepin-2-one
MOLECULAR FORMULA: C10H15NO
MOLECULAR WEIGHT: 165.2322
SMILES: CC1C=C(C=C(N(C1=O)C)C)C
Structure:
CAS RN: 89166-52-9
CAS Name: 1,3,5,7-tetramethyl-3H-azepin-2-one
OPENEYE Name: 1,3,5,7-tetramethyl-3H-azepin-2-one
IUPAC Name: 1,3,5,7-tetramethyl-3H-azepin-2-one
SYSTEMATIC NAME: 1,3,5,7-tetramethyl-3H-azepin-2-one
MOLECULAR FORMULA: C10H15NO
MOLECULAR WEIGHT: 165.2322
SMILES: CC1C=C(C=C(N(C1=O)C)C)C
Structure:
CAS RN: 1676-49-9
CAS Name: 3,5,7-trimethyl-1-[2-(4-morpholinyl)ethyl]-3H-azepin-2-one
OPENEYE Name: 3,5,7-trimethyl-1-(2-morpholinoethyl)-3H-azepin-2-one
IUPAC Name: 3,5,7-trimethyl-1-(2-morpholin-4-ylethyl)-3H-azepin-2-one
SYSTEMATIC NAME: 3,5,7-trimethyl-1-(2-morpholin-4-ylethyl)-3H-azepin-2-one
MOLECULAR FORMULA: C15H24N2O2
MOLECULAR WEIGHT: 264.36326
SMILES: CC1C=C(C=C(N(C1=O)CCN2CCOCC2)C)C
Structure:
CAS RN: 26692-46-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H18O2
MOLECULAR WEIGHT: 266.33432
SMILES: C1=CC=C2C3C(C(C(C2=C1)C4=CC=CC=C34)CO)CO
Structure:
CAS RN: 172876-96-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H11NO
MOLECULAR WEIGHT: 161.20044
SMILES: COC1=NC2C=CC3C1C3C=C2
Structure:
CAS RN: 91796-04-2
CAS Name: 3-chloropropylsulfonylmethylbenzene
OPENEYE Name: 3-chloropropylsulfonylmethylbenzene
IUPAC Name: 3-chloropropylsulfonylmethylbenzene
SYSTEMATIC NAME: 3-chloranylpropylsulfonylmethylbenzene
MOLECULAR FORMULA: C10H13ClO2S
MOLECULAR WEIGHT: 232.72702
SMILES: C1=CC=C(C=C1)CS(=O)(=O)CCCCl
Structure:
CAS RN: 207569-02-6
CAS Name: N-(6-iodo-1-methyl-1-cyclohex-3-enyl)carbamic acid methyl ester
OPENEYE Name: methyl N-(6-iodo-1-methyl-cyclohex-3-en-1-yl)carbamate
IUPAC Name: methyl N-(6-iodo-1-methylcyclohex-3-en-1-yl)carbamate
SYSTEMATIC NAME: methyl N-(6-iodanyl-1-methyl-cyclohex-3-en-1-yl)carbamate
MOLECULAR FORMULA: C9H14INO2
MOLECULAR WEIGHT: 295.11743
SMILES: CC1(CC=CCC1I)NC(=O)OC
Structure:
CAS RN: 29781-54-2
CAS Name: [2-[bis(2-chloroethyl)amino]-6-methoxy-2-oxo-3a,4,6,6a-tetrahydro-3H-furo[3,4-d][1,3,2]oxazaphosphol-4-yl]methanol
OPENEYE Name: [2-[bis(2-chloroethyl)amino]-6-methoxy-2-oxo-3a,4,6,6a-tetrahydro-3H-furo[3,4-d][1,3,2]oxazaphosphol-4-yl]methanol
IUPAC Name: [2-[bis(2-chloroethyl)amino]-6-methoxy-2-oxo-3a,4,6,6a-tetrahydro-3H-furo[3,4-d][1,3,2]oxazaphosphol-4-yl]methanol
SYSTEMATIC NAME: [2-[bis(2-chloroethyl)amino]-6-methoxy-2-oxidanylidene-3a,4,6,6a-tetrahydro-3H-furo[3,4-d][1,3,2]oxazaphosphol-4-yl]methanol
MOLECULAR FORMULA: C10H19Cl2N2O5P
MOLECULAR WEIGHT: 349.148021
SMILES: COC1C2C(C(O1)CO)NP(=O)(O2)N(CCCl)CCCl
Structure:
CAS RN: 39807-19-7
CAS Name: 3-(4-chlorophenyl)imino-1-isobenzofuranone
OPENEYE Name: 3-(4-chlorophenyl)iminoisobenzofuran-1-one
IUPAC Name: 3-(4-chlorophenyl)imino-2-benzofuran-1-one
SYSTEMATIC NAME: 3-(4-chlorophenyl)imino-2-benzofuran-1-one
MOLECULAR FORMULA: C14H8ClNO2
MOLECULAR WEIGHT: 257.67182
SMILES: C1=CC=C2C(=C1)C(=NC3=CC=C(C=C3)Cl)OC2=O
Structure:
CAS RN: 16462-27-4
CAS Name: 2,4-diamino-5-pyrimidinecarbonitrile
OPENEYE Name: 2,4-diaminopyrimidine-5-carbonitrile
IUPAC Name: 2,4-diaminopyrimidine-5-carbonitrile
SYSTEMATIC NAME: 2,4-bis(azanyl)pyrimidine-5-carbonitrile
MOLECULAR FORMULA: C5H5N5
MOLECULAR WEIGHT: 135.1267
SMILES: C1=C(C(=NC(=N1)N)N)C#N
Structure:
CAS RN: 15908-64-2
CAS Name: N-(diphenylmethylene)benzamide
OPENEYE Name: N-benzhydrylidenebenzamide
IUPAC Name: N-benzhydrylidenebenzamide
SYSTEMATIC NAME: N-(diphenylmethylidene)benzamide
MOLECULAR FORMULA: C20H15NO
MOLECULAR WEIGHT: 285.3392
SMILES: C1=CC=C(C=C1)C(=NC(=O)C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 21555-16-8
CAS Name: 10-oxo-1'-spiro[anthracene-9,2'-cyclopropane]carbonitrile
OPENEYE Name: 10-oxospiro[anthracene-9,2'-cyclopropane]-1'-carbonitrile
IUPAC Name: 10-oxospiro[anthracene-9,2'-cyclopropane]-1'-carbonitrile
SYSTEMATIC NAME: 10-oxidanylidenespiro[anthracene-9,2'-cyclopropane]-1'-carbonitrile
MOLECULAR FORMULA: C17H11NO
MOLECULAR WEIGHT: 245.27534
SMILES: C1C(C12C3=CC=CC=C3C(=O)C4=CC=CC=C24)C#N
Structure:
CAS RN: 63480-10-4
CAS Name: 7-nitro-1H-3,1-benzoxazine-2,4-dione
OPENEYE Name: 7-nitro-1H-3,1-benzoxazine-2,4-dione
IUPAC Name: 7-nitro-1H-3,1-benzoxazine-2,4-dione
SYSTEMATIC NAME: 7-nitro-1H-3,1-benzoxazine-2,4-dione
MOLECULAR FORMULA: C8H4N2O5
MOLECULAR WEIGHT: 208.12776
SMILES: C1=CC2=C(C=C1[N+](=O)[O-])NC(=O)OC2=O
Structure:
CAS RN: 1125-70-8
CAS Name: 1,1-dibromo-2,2-dimethyl-3-propan-2-ylidenecyclopropane
OPENEYE Name: 1,1-dibromo-3-isopropylidene-2,2-dimethyl-cyclopropane
IUPAC Name: 1,1-dibromo-2,2-dimethyl-3-propan-2-ylidenecyclopropane
SYSTEMATIC NAME: 1,1-bis(bromanyl)-2,2-dimethyl-3-propan-2-ylidene-cyclopropane
MOLECULAR FORMULA: C8H12Br2
MOLECULAR WEIGHT: 267.98888
SMILES: CC(=C1C(C1(Br)Br)(C)C)C
Structure:
CAS RN: 3435-27-6
CAS Name: 2-nitro-3-phenylspiro[cyclopropane-1,9'-fluorene]
OPENEYE Name: 2-nitro-3-phenyl-spiro[cyclopropane-1,9'-fluorene]
IUPAC Name: 2-nitro-3-phenylspiro[cyclopropane-1,9'-fluorene]
SYSTEMATIC NAME: 2-nitro-3-phenyl-spiro[cyclopropane-1,9'-fluorene]
MOLECULAR FORMULA: C21H15NO2
MOLECULAR WEIGHT: 313.3493
SMILES: C1=CC=C(C=C1)C2C(C23C4=CC=CC=C4C5=CC=CC=C35)[N+](=O)[O-]
Structure:
CAS RN: 28418-88-4
CAS Name: 4-iodoisobenzofuran-1,3-dione
OPENEYE Name: 4-iodoisobenzofuran-1,3-dione
IUPAC Name: 4-iodo-2-benzofuran-1,3-dione
SYSTEMATIC NAME: 4-iodanyl-2-benzofuran-1,3-dione
MOLECULAR FORMULA: C8H3IO3
MOLECULAR WEIGHT: 274.01209
SMILES: C1=CC2=C(C(=C1)I)C(=O)OC2=O
Structure:
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