CAS RN: 56175-92-9
CAS Name: 4-(4-chloroanilino)-3-pyridinesulfonamide
OPENEYE Name: 4-(4-chloroanilino)pyridine-3-sulfonamide
IUPAC Name: 4-(4-chloroanilino)pyridine-3-sulfonamide
SYSTEMATIC NAME: 4-[(4-chlorophenyl)amino]pyridine-3-sulfonamide
MOLECULAR FORMULA: C11H10ClN3O2S
MOLECULAR WEIGHT: 283.734
SMILES: C1=CC(=CC=C1NC2=C(C=NC=C2)S(=O)(=O)N)Cl
Structure:
CAS RN: 6448-54-0
CAS Name: 6-methyl-5-thieno[3,2-b]thiophenecarboxylic acid
OPENEYE Name: 6-methylthieno[3,2-b]thiophene-5-carboxylic acid
IUPAC Name: 6-methylthieno[3,2-b]thiophene-5-carboxylic acid
SYSTEMATIC NAME: 6-methylthieno[3,2-b]thiophene-5-carboxylic acid
MOLECULAR FORMULA: C8H6O2S2
MOLECULAR WEIGHT: 198.26204
SMILES: CC1=C(SC2=C1SC=C2)C(=O)O
Structure:
CAS RN: 29241-64-3
CAS Name: 5,6-dibromo-3-pyridinecarboxylic acid
OPENEYE Name: 5,6-dibromopyridine-3-carboxylic acid
IUPAC Name: 5,6-dibromopyridine-3-carboxylic acid
SYSTEMATIC NAME: 5,6-bis(bromanyl)pyridine-3-carboxylic acid
MOLECULAR FORMULA: C6H3Br2NO2
MOLECULAR WEIGHT: 280.90152
SMILES: C1=C(C=NC(=C1Br)Br)C(=O)O
Structure:
CAS RN: 7496-18-6
CAS Name: (Z)-2-(2,4-dichlorophenyl)-3-[4-(dimethylamino)phenyl]-2-propenenitrile
OPENEYE Name: (Z)-2-(2,4-dichlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
IUPAC Name: (Z)-2-(2,4-dichlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
SYSTEMATIC NAME: (Z)-2-(2,4-dichlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
MOLECULAR FORMULA: C17H14Cl2N2
MOLECULAR WEIGHT: 317.21246
SMILES: CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C2=C(C=C(C=C2)Cl)Cl
Structure:
CAS RN: 75792-33-5
CAS Name: (Z)-2-(2,4-dichlorophenyl)-3-[4-(dimethylamino)phenyl]-2-propenenitrile
OPENEYE Name: (Z)-2-(2,4-dichlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
IUPAC Name: (Z)-2-(2,4-dichlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
SYSTEMATIC NAME: (Z)-2-(2,4-dichlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
MOLECULAR FORMULA: C17H14Cl2N2
MOLECULAR WEIGHT: 317.21246
SMILES: CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C2=C(C=C(C=C2)Cl)Cl
Structure:
CAS RN: 494763-26-7
CAS Name: 3-chloro-5-[(4-methylphenyl)methylsulfonyl]-1,2,4-thiadiazole
OPENEYE Name: 3-chloro-5-(p-tolylmethylsulfonyl)-1,2,4-thiadiazole
IUPAC Name: 3-chloro-5-[(4-methylphenyl)methylsulfonyl]-1,2,4-thiadiazole
SYSTEMATIC NAME: 3-chloranyl-5-[(4-methylphenyl)methylsulfonyl]-1,2,4-thiadiazole
MOLECULAR FORMULA: C10H9ClN2O2S2
MOLECULAR WEIGHT: 288.77366
SMILES: CC1=CC=C(C=C1)CS(=O)(=O)C2=NC(=NS2)Cl
Structure:
CAS RN: 5871-09-0
CAS Name: (E)-3-(3-chloro-4-methoxyphenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(3-chloro-4-methoxy-phenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(3-chloro-4-methoxyphenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(3-chloranyl-4-methoxy-phenyl)prop-2-enoic acid
MOLECULAR FORMULA: C10H9ClO3
MOLECULAR WEIGHT: 212.62966
SMILES: COC1=C(C=C(C=C1)/C=C/C(=O)O)Cl
Structure:
CAS RN: 643087-31-4
CAS Name: 2-methoxy-5-methylbenzenesulfonamide
OPENEYE Name: 2-methoxy-5-methyl-benzenesulfonamide
IUPAC Name: 2-methoxy-5-methylbenzenesulfonamide
SYSTEMATIC NAME: 2-methoxy-5-methyl-benzenesulfonamide
MOLECULAR FORMULA: C8H11NO3S
MOLECULAR WEIGHT: 201.24284
SMILES: CC1=CC(=C(C=C1)OC)S(=O)(=O)N
Structure:
CAS RN: 16886-10-5
CAS Name: (4-methoxy-1-naphthalenyl)methanol
OPENEYE Name: (4-methoxy-1-naphthyl)methanol
IUPAC Name: (4-methoxynaphthalen-1-yl)methanol
SYSTEMATIC NAME: (4-methoxynaphthalen-1-yl)methanol
MOLECULAR FORMULA: C12H12O2
MOLECULAR WEIGHT: 188.22248
SMILES: COC1=CC=C(C2=CC=CC=C21)CO
Structure:
CAS RN: 139156-98-2
CAS Name: 1-phenyl-7,8-dihydro-6H-pyrimido[4,5-b]pyrrolizine
OPENEYE Name: 1-phenyl-7,8-dihydro-6H-pyrimido[4,5-b]pyrrolizine
IUPAC Name: 1-phenyl-7,8-dihydro-6H-pyrimido[4,5-b]pyrrolizine
SYSTEMATIC NAME: 1-phenyl-7,8-dihydro-6H-pyrimido[4,5-b]pyrrolizine
MOLECULAR FORMULA: C15H13N3
MOLECULAR WEIGHT: 235.28382
SMILES: C1CC2=CC3=C(N2C1)C(=NC=N3)C4=CC=CC=C4
Structure:
CAS RN: 141581-89-7
CAS Name: 2-[(3E)-2,4-dioxo-3-[[(phenylmethyl)amino]methylidene]-1-pyrrolidinyl]acetamide
OPENEYE Name: 2-[(3E)-3-[(benzylamino)methylene]-2,4-dioxo-pyrrolidin-1-yl]acetamide
IUPAC Name: 2-[(3E)-3-[(benzylamino)methylidene]-2,4-dioxopyrrolidin-1-yl]acetamide
SYSTEMATIC NAME: 2-[(3E)-2,4-bis(oxidanylidene)-3-[[(phenylmethyl)amino]methylidene]pyrrolidin-1-yl]ethanamide
MOLECULAR FORMULA: C14H15N3O3
MOLECULAR WEIGHT: 273.2872
SMILES: C1C(=O)/C(=C\NCC2=CC=CC=C2)/C(=O)N1CC(=O)N
Structure:
CAS RN: 132605-19-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H10N2OS2
MOLECULAR WEIGHT: 238.3292
SMILES: CN1C(=O)C2=C(NC1=S)SC3=C2CCC3
Structure:
CAS RN: 1874-12-0
CAS Name: (E)-3-(5-nitro-2-furanyl)-2-propenoic acid ethyl ester
OPENEYE Name: ethyl (E)-3-(5-nitro-2-furyl)prop-2-enoate
IUPAC Name: ethyl (E)-3-(5-nitrofuran-2-yl)prop-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-(5-nitrofuran-2-yl)prop-2-enoate
MOLECULAR FORMULA: C9H9NO5
MOLECULAR WEIGHT: 211.17146
SMILES: CCOC(=O)/C=C/C1=CC=C(O1)[N+](=O)[O-]
Structure:
CAS RN: 137987-84-9
CAS Name: 1-(2,4-dihydroxyphenyl)-2-(4-methylphenoxy)ethanone
OPENEYE Name: 1-(2,4-dihydroxyphenyl)-2-(4-methylphenoxy)ethanone
IUPAC Name: 1-(2,4-dihydroxyphenyl)-2-(4-methylphenoxy)ethanone
SYSTEMATIC NAME: 1-[2,4-bis(oxidanyl)phenyl]-2-(4-methylphenoxy)ethanone
MOLECULAR FORMULA: C15H14O4
MOLECULAR WEIGHT: 258.26926
SMILES: CC1=CC=C(C=C1)OCC(=O)C2=C(C=C(C=C2)O)O
Structure:
CAS RN: 36524-78-4
CAS Name: 2,3-diphenylimidazo[1,2-a]benzimidazole
OPENEYE Name: 2,3-diphenylimidazo[1,2-a]benzimidazole
IUPAC Name: 2,3-diphenylimidazo[1,2-a]benzimidazole
SYSTEMATIC NAME: 2,3-diphenylimidazo[1,2-a]benzimidazole
MOLECULAR FORMULA: C21H15N3
MOLECULAR WEIGHT: 309.3639
SMILES: C1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3N2C5=CC=CC=C5
Structure:
CAS RN: 438227-56-6
CAS Name: 4-(2,4-dimethylphenyl)-5-methyl-2-thiazolamine
OPENEYE Name: 4-(2,4-dimethylphenyl)-5-methyl-thiazol-2-amine
IUPAC Name: 4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
SYSTEMATIC NAME: 4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
MOLECULAR FORMULA: C12H14N2S
MOLECULAR WEIGHT: 218.31796
SMILES: CC1=CC(=C(C=C1)C2=C(SC(=N2)N)C)C
Structure:
CAS RN: 68025-12-7
CAS Name: 1,3-dioxo-2-propyl-5-isoindolecarboxylic acid
OPENEYE Name: 1,3-dioxo-2-propyl-isoindoline-5-carboxylic acid
IUPAC Name: 1,3-dioxo-2-propylisoindole-5-carboxylic acid
SYSTEMATIC NAME: 1,3-bis(oxidanylidene)-2-propyl-isoindole-5-carboxylic acid
MOLECULAR FORMULA: C12H11NO4
MOLECULAR WEIGHT: 233.22004
SMILES: CCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)O
Structure:
CAS RN: 93142-62-2
CAS Name: N-[2-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-2,2-dimethylpropanamide
OPENEYE Name: N-[2-(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethyl-propanamide
IUPAC Name: N-[2-(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide
SYSTEMATIC NAME: N-[2-(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethyl-propanamide
MOLECULAR FORMULA: C16H24N2O2
MOLECULAR WEIGHT: 276.37396
SMILES: CC(C)(C)C(=O)NC1=CC=CC=C1NC(=O)C(C)(C)C
Structure:
CAS RN: 74661-28-2
CAS Name: 2-methylbenzoic acid 2-(dimethylamino)ethyl ester
OPENEYE Name: 2-(dimethylamino)ethyl 2-methylbenzoate
IUPAC Name: 2-(dimethylamino)ethyl 2-methylbenzoate
SYSTEMATIC NAME: 2-(dimethylamino)ethyl 2-methylbenzoate
MOLECULAR FORMULA: C12H17NO2
MOLECULAR WEIGHT: 207.26888
SMILES: CC1=CC=CC=C1C(=O)OCCN(C)C
Structure:
CAS RN: 149524-47-0
CAS Name: N-(3-fluorophenyl)carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-(3-fluorophenyl)carbamate
IUPAC Name: benzyl N-(3-fluorophenyl)carbamate
SYSTEMATIC NAME: (phenylmethyl) N-(3-fluorophenyl)carbamate
MOLECULAR FORMULA: C14H12FNO2
MOLECULAR WEIGHT: 245.248983
SMILES: C1=CC=C(C=C1)COC(=O)NC2=CC(=CC=C2)F
Structure:
CAS RN: 667436-65-9
CAS Name: 5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]benzaldehyde
OPENEYE Name: 5-chloro-2-[(2-chloro-6-fluoro-phenyl)methoxy]benzaldehyde
IUPAC Name: 5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]benzaldehyde
SYSTEMATIC NAME: 5-chloranyl-2-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]benzaldehyde
MOLECULAR FORMULA: C14H9Cl2FO2
MOLECULAR WEIGHT: 299.124463
SMILES: C1=CC(=C(C(=C1)Cl)COC2=C(C=C(C=C2)Cl)C=O)F
Structure:
CAS RN: 49686-00-2
CAS Name: (3,5-dichloro-4-methoxyphenyl)methanol
OPENEYE Name: (3,5-dichloro-4-methoxy-phenyl)methanol
IUPAC Name: (3,5-dichloro-4-methoxyphenyl)methanol
SYSTEMATIC NAME: [3,5-bis(chloranyl)-4-methoxy-phenyl]methanol
MOLECULAR FORMULA: C8H8Cl2O2
MOLECULAR WEIGHT: 207.05392
SMILES: COC1=C(C=C(C=C1Cl)CO)Cl
Structure:
CAS RN: 5338-89-6
CAS Name: (3-iodo-4-methoxyphenyl)methanol
OPENEYE Name: (3-iodo-4-methoxy-phenyl)methanol
IUPAC Name: (3-iodo-4-methoxyphenyl)methanol
SYSTEMATIC NAME: (3-iodanyl-4-methoxy-phenyl)methanol
MOLECULAR FORMULA: C8H9IO2
MOLECULAR WEIGHT: 264.06033
SMILES: COC1=C(C=C(C=C1)CO)I
Structure:
CAS RN: 57932-62-4
CAS Name: 2-nitro-N-(2-propyl-5-tetrazolyl)benzamide
OPENEYE Name: 2-nitro-N-(2-propyltetrazol-5-yl)benzamide
IUPAC Name: 2-nitro-N-(2-propyltetrazol-5-yl)benzamide
SYSTEMATIC NAME: 2-nitro-N-(2-propyl-1,2,3,4-tetrazol-5-yl)benzamide
MOLECULAR FORMULA: C11H12N6O3
MOLECULAR WEIGHT: 276.25138
SMILES: CCCN1N=C(N=N1)NC(=O)C2=CC=CC=C2[N+](=O)[O-]
Structure:
CAS RN: 174574-08-4
CAS Name: 4-methyl-3-(2-methylphenyl)-1H-1,2,4-triazole-5-thione
OPENEYE Name: 4-methyl-3-(o-tolyl)-1H-1,2,4-triazole-5-thione
IUPAC Name: 4-methyl-3-(2-methylphenyl)-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-methyl-3-(2-methylphenyl)-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C10H11N3S
MOLECULAR WEIGHT: 205.27944
SMILES: CC1=CC=CC=C1C2=NNC(=S)N2C
Structure:
CAS RN: 590360-22-8
CAS Name: 5-chloro-2-[(4-fluorophenyl)methoxy]benzaldehyde
OPENEYE Name: 5-chloro-2-[(4-fluorophenyl)methoxy]benzaldehyde
IUPAC Name: 5-chloro-2-[(4-fluorophenyl)methoxy]benzaldehyde
SYSTEMATIC NAME: 5-chloranyl-2-[(4-fluorophenyl)methoxy]benzaldehyde
MOLECULAR FORMULA: C14H10ClFO2
MOLECULAR WEIGHT: 264.679403
SMILES: C1=CC(=CC=C1COC2=C(C=C(C=C2)Cl)C=O)F
Structure:
CAS RN: 590360-23-9
CAS Name: 5-chloro-2-[(4-methylphenyl)methoxy]benzaldehyde
OPENEYE Name: 5-chloro-2-(p-tolylmethoxy)benzaldehyde
IUPAC Name: 5-chloro-2-[(4-methylphenyl)methoxy]benzaldehyde
SYSTEMATIC NAME: 5-chloranyl-2-[(4-methylphenyl)methoxy]benzaldehyde
MOLECULAR FORMULA: C15H13ClO2
MOLECULAR WEIGHT: 260.71552
SMILES: CC1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)C=O
Structure:
CAS RN: 667436-67-1
CAS Name: 2-[(4-bromophenyl)methoxy]-5-chlorobenzaldehyde
OPENEYE Name: 2-[(4-bromophenyl)methoxy]-5-chloro-benzaldehyde
IUPAC Name: 2-[(4-bromophenyl)methoxy]-5-chlorobenzaldehyde
SYSTEMATIC NAME: 2-[(4-bromophenyl)methoxy]-5-chloranyl-benzaldehyde
MOLECULAR FORMULA: C14H10BrClO2
MOLECULAR WEIGHT: 325.585
SMILES: C1=CC(=CC=C1COC2=C(C=C(C=C2)Cl)C=O)Br
Structure:
CAS RN: 590359-98-1
CAS Name: 5-chloro-2-[(2-chlorophenyl)methoxy]benzaldehyde
OPENEYE Name: 5-chloro-2-[(2-chlorophenyl)methoxy]benzaldehyde
IUPAC Name: 5-chloro-2-[(2-chlorophenyl)methoxy]benzaldehyde
SYSTEMATIC NAME: 5-chloranyl-2-[(2-chlorophenyl)methoxy]benzaldehyde
MOLECULAR FORMULA: C14H10Cl2O2
MOLECULAR WEIGHT: 281.134
SMILES: C1=CC=C(C(=C1)COC2=C(C=C(C=C2)Cl)C=O)Cl
Structure:
CAS RN: 590353-54-1
CAS Name: 3-[(3-fluorophenyl)methoxy]benzaldehyde
OPENEYE Name: 3-[(3-fluorophenyl)methoxy]benzaldehyde
IUPAC Name: 3-[(3-fluorophenyl)methoxy]benzaldehyde
SYSTEMATIC NAME: 3-[(3-fluorophenyl)methoxy]benzaldehyde
MOLECULAR FORMULA: C14H11FO2
MOLECULAR WEIGHT: 230.234343
SMILES: C1=CC(=CC(=C1)F)COC2=CC=CC(=C2)C=O
Structure:
CAS RN: 70974-45-7
CAS Name: benzoic acid (2,2,6,6-tetramethyl-4-oxo-1-piperidinyl) ester
OPENEYE Name: (2,2,6,6-tetramethyl-4-oxo-1-piperidyl) benzoate
IUPAC Name: (2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) benzoate
SYSTEMATIC NAME: (2,2,6,6-tetramethyl-4-oxidanylidene-piperidin-1-yl) benzoate
MOLECULAR FORMULA: C16H21NO3
MOLECULAR WEIGHT: 275.34284
SMILES: CC1(CC(=O)CC(N1OC(=O)C2=CC=CC=C2)(C)C)C
Structure:
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