CAS RN: 18542-87-5
CAS Name: 3,5-dimethyl-4-thiopyranthione
OPENEYE Name: 3,5-dimethylthiopyran-4-thione
IUPAC Name: 3,5-dimethylthiopyran-4-thione
SYSTEMATIC NAME: 3,5-dimethylthiopyran-4-thione
MOLECULAR FORMULA: C7H8S2
MOLECULAR WEIGHT: 156.26842
SMILES: CC1=CSC=C(C1=S)C
Structure:
CAS RN: 77639-70-4
CAS Name: 1,2,6-trimethyl-4-pyridinone
OPENEYE Name: 1,2,6-trimethylpyridin-4-one
IUPAC Name: 1,2,6-trimethylpyridin-4-one
SYSTEMATIC NAME: 1,2,6-trimethylpyridin-4-one
MOLECULAR FORMULA: C8H11NO
MOLECULAR WEIGHT: 137.17904
SMILES: CC1=CC(=O)C=C(N1C)C
Structure:
CAS RN: 81050-71-7
CAS Name: 2-(1,4-dimethoxy-2-naphthalenyl)acetic acid
OPENEYE Name: 2-(1,4-dimethoxy-2-naphthyl)acetic acid
IUPAC Name: 2-(1,4-dimethoxynaphthalen-2-yl)acetic acid
SYSTEMATIC NAME: 2-(1,4-dimethoxynaphthalen-2-yl)ethanoic acid
MOLECULAR FORMULA: C14H14O4
MOLECULAR WEIGHT: 246.25856
SMILES: COC1=CC(=C(C2=CC=CC=C21)OC)CC(=O)O
Structure:
CAS RN: 81050-84-2
CAS Name: 2-(3,4-dioxo-1-naphthalenyl)acetonitrile
OPENEYE Name: 2-(3,4-dioxo-1-naphthyl)acetonitrile
IUPAC Name: 2-(3,4-dioxonaphthalen-1-yl)acetonitrile
SYSTEMATIC NAME: 2-[3,4-bis(oxidanylidene)naphthalen-1-yl]ethanenitrile
MOLECULAR FORMULA: C12H7NO2
MOLECULAR WEIGHT: 197.18948
SMILES: C1=CC=C2C(=C1)C(=CC(=O)C2=O)CC#N
Structure:
CAS RN: 157047-96-6
CAS Name: (10-bromo-9-anthracenyl)-phenylmethanone
OPENEYE Name: (10-bromo-9-anthryl)-phenyl-methanone
IUPAC Name: (10-bromoanthracen-9-yl)-phenylmethanone
SYSTEMATIC NAME: (10-bromanylanthracen-9-yl)-phenyl-methanone
MOLECULAR FORMULA: C21H13BrO
MOLECULAR WEIGHT: 361.23132
SMILES: C1=CC=C(C=C1)C(=O)C2=C3C=CC=CC3=C(C4=CC=CC=C42)Br
Structure:
CAS RN: 60160-75-0
CAS Name: 1,3-diphenyl-9-fluorenone
OPENEYE Name: 1,3-diphenylfluoren-9-one
IUPAC Name: 1,3-diphenylfluoren-9-one
SYSTEMATIC NAME: 1,3-diphenylfluoren-9-one
MOLECULAR FORMULA: C25H16O
MOLECULAR WEIGHT: 332.39394
SMILES: C1=CC=C(C=C1)C2=CC(=C3C(=C2)C4=CC=CC=C4C3=O)C5=CC=CC=C5
Structure:
CAS RN: 19745-79-0
CAS Name: 2-(4-bromophenyl)-2-(9H-fluoren-9-yl)acetonitrile
OPENEYE Name: 2-(4-bromophenyl)-2-(9H-fluoren-9-yl)acetonitrile
IUPAC Name: 2-(4-bromophenyl)-2-(9H-fluoren-9-yl)acetonitrile
SYSTEMATIC NAME: 2-(4-bromophenyl)-2-(9H-fluoren-9-yl)ethanenitrile
MOLECULAR FORMULA: C21H14BrN
MOLECULAR WEIGHT: 360.24656
SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)C(C#N)C4=CC=C(C=C4)Br
Structure:
CAS RN: 40138-16-7
CAS Name: (2-formylphenyl)boronic acid
OPENEYE Name: (2-formylphenyl)boronic acid
IUPAC Name: (2-formylphenyl)boronic acid
SYSTEMATIC NAME: (2-methanoylphenyl)boronic acid
MOLECULAR FORMULA: C7H7BO3
MOLECULAR WEIGHT: 149.93968
SMILES: B(C1=CC=CC=C1C=O)(O)O
Structure:
CAS RN: 5980-97-2
CAS Name: (2,4,6-trimethylphenyl)boronic acid
OPENEYE Name: (2,4,6-trimethylphenyl)boronic acid
IUPAC Name: (2,4,6-trimethylphenyl)boronic acid
SYSTEMATIC NAME: (2,4,6-trimethylphenyl)boronic acid
MOLECULAR FORMULA: C9H13BO2
MOLECULAR WEIGHT: 164.00932
SMILES: B(C1=C(C=C(C=C1C)C)C)(O)O
Structure:
CAS RN: 15811-13-9
CAS Name: 6-[(dimethylamino)methyl]-4H-thieno[3,2-b]pyrrole-5-carboxylic acid ethyl ester
OPENEYE Name: ethyl 6-[(dimethylamino)methyl]-4H-thieno[3,2-b]pyrrole-5-carboxylate
IUPAC Name: ethyl 6-[(dimethylamino)methyl]-4H-thieno[3,2-b]pyrrole-5-carboxylate
SYSTEMATIC NAME: ethyl 6-[(dimethylamino)methyl]-4H-thieno[3,2-b]pyrrole-5-carboxylate
MOLECULAR FORMULA: C12H16N2O2S
MOLECULAR WEIGHT: 252.33264
SMILES: CCOC(=O)C1=C(C2=C(N1)C=CS2)CN(C)C
Structure:
CAS RN: 1154-62-7
CAS Name: 6-[(dimethylamino)methyl]-2-(phenylmethylene)-4H-thieno[3,2-b]pyrrol-3-one
OPENEYE Name: 2-benzylidene-6-[(dimethylamino)methyl]-4H-thieno[3,2-b]pyrrol-3-one
IUPAC Name: 2-benzylidene-6-[(dimethylamino)methyl]-4H-thieno[3,2-b]pyrrol-3-one
SYSTEMATIC NAME: 6-[(dimethylamino)methyl]-2-(phenylmethylidene)-4H-thieno[3,2-b]pyrrol-3-one
MOLECULAR FORMULA: C16H16N2OS
MOLECULAR WEIGHT: 284.37604
SMILES: CN(C)CC1=CNC2=C1SC(=CC3=CC=CC=C3)C2=O
Structure:
CAS RN: 46193-76-4
CAS Name: 4H-thieno[3,2-b]pyrrole-5-carboxylic acid ethyl ester
OPENEYE Name: ethyl 4H-thieno[3,2-b]pyrrole-5-carboxylate
IUPAC Name: ethyl 4H-thieno[3,2-b]pyrrole-5-carboxylate
SYSTEMATIC NAME: ethyl 4H-thieno[3,2-b]pyrrole-5-carboxylate
MOLECULAR FORMULA: C9H9NO2S
MOLECULAR WEIGHT: 195.23826
SMILES: CCOC(=O)C1=CC2=C(N1)C=CS2
Structure:
CAS RN: 3010-53-5
CAS Name: 2-(10-nitro-9,10-dihydroanthracen-9-yl)propanedinitrile
OPENEYE Name: 2-(10-nitro-9,10-dihydroanthracen-9-yl)propanedinitrile
IUPAC Name: 2-(10-nitro-9,10-dihydroanthracen-9-yl)propanedinitrile
SYSTEMATIC NAME: 2-(10-nitro-9,10-dihydroanthracen-9-yl)propanedinitrile
MOLECULAR FORMULA: C17H11N3O2
MOLECULAR WEIGHT: 289.28814
SMILES: C1=CC=C2C(C3=CC=CC=C3C(C2=C1)C(C#N)C#N)[N+](=O)[O-]
Structure:
CAS RN: 5394-70-7
CAS Name: 10-(2-nitropropan-2-yl)-10H-anthracen-9-one oxime
OPENEYE Name: 10-(1-methyl-1-nitro-ethyl)-10H-anthracen-9-one oxime
IUPAC Name: N-[10-(2-nitropropan-2-yl)-10H-anthracen-9-ylidene]hydroxylamine
SYSTEMATIC NAME: N-[10-(2-nitropropan-2-yl)-10H-anthracen-9-ylidene]hydroxylamine
MOLECULAR FORMULA: C17H16N2O3
MOLECULAR WEIGHT: 296.32054
SMILES: CC(C)(C1C2=CC=CC=C2C(=NO)C3=CC=CC=C13)[N+](=O)[O-]
Structure:
CAS RN: 2892-16-2
CAS Name: 1-(5-chloro-2-hydroxyphenyl)-1-propanone
OPENEYE Name: 1-(5-chloro-2-hydroxy-phenyl)propan-1-one
IUPAC Name: 1-(5-chloro-2-hydroxyphenyl)propan-1-one
SYSTEMATIC NAME: 1-(5-chloranyl-2-oxidanyl-phenyl)propan-1-one
MOLECULAR FORMULA: C9H9ClO2
MOLECULAR WEIGHT: 184.61956
SMILES: CCC(=O)C1=C(C=CC(=C1)Cl)O
Structure:
CAS RN: 42185-06-8
CAS Name: 3-methylmorpholine
OPENEYE Name: 3-methylmorpholine
IUPAC Name: 3-methylmorpholine
SYSTEMATIC NAME: 3-methylmorpholine
MOLECULAR FORMULA: C5H11NO
MOLECULAR WEIGHT: 101.14694
SMILES: CC1COCCN1
Structure:
CAS RN: 1780-76-3
CAS Name: (3-methylcyclohexyl)benzene
OPENEYE Name: (3-methylcyclohexyl)benzene
IUPAC Name: (3-methylcyclohexyl)benzene
SYSTEMATIC NAME: (3-methylcyclohexyl)benzene
MOLECULAR FORMULA: C13H18
MOLECULAR WEIGHT: 174.28202
SMILES: CC1CCCC(C1)C2=CC=CC=C2
Structure:
CAS RN: 60222-69-7
CAS Name: 1,1,1,2,2-pentachloro-2-(1,1,2,2,2-pentachloroethoxy)ethane
OPENEYE Name: 1,1,1,2,2-pentachloro-2-(1,1,2,2,2-pentachloroethoxy)ethane
IUPAC Name: 1,1,1,2,2-pentachloro-2-(1,1,2,2,2-pentachloroethoxy)ethane
SYSTEMATIC NAME: 1,1,1,2,2-pentakis(chloranyl)-2-[1,1,2,2,2-pentakis(chloranyl)ethoxy]ethane
MOLECULAR FORMULA: C4Cl10O
MOLECULAR WEIGHT: 418.5722
SMILES: C(C(Cl)(Cl)Cl)(OC(C(Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl
Structure:
CAS RN: 17138-07-7
CAS Name: N-(2-methylphenyl)-1-(3-nitrophenyl)methanimine
OPENEYE Name: 1-(3-nitrophenyl)-N-(o-tolyl)methanimine
IUPAC Name: N-(2-methylphenyl)-1-(3-nitrophenyl)methanimine
SYSTEMATIC NAME: N-(2-methylphenyl)-1-(3-nitrophenyl)methanimine
MOLECULAR FORMULA: C14H12N2O2
MOLECULAR WEIGHT: 240.25728
SMILES: CC1=CC=CC=C1N=CC2=CC(=CC=C2)[N+](=O)[O-]
Structure:
CAS RN: 1713-83-3
CAS Name: N-(3-methylphenyl)-1-(3-nitrophenyl)methanimine
OPENEYE Name: N-(m-tolyl)-1-(3-nitrophenyl)methanimine
IUPAC Name: N-(3-methylphenyl)-1-(3-nitrophenyl)methanimine
SYSTEMATIC NAME: N-(3-methylphenyl)-1-(3-nitrophenyl)methanimine
MOLECULAR FORMULA: C14H12N2O2
MOLECULAR WEIGHT: 240.25728
SMILES: CC1=CC(=CC=C1)N=CC2=CC(=CC=C2)[N+](=O)[O-]
Structure:
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