CAS RN: 3736-77-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H10N2O5
MOLECULAR WEIGHT: 226.1861
SMILES: C1=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)OC2=NC1=O
Structure:
CAS RN: 30904-99-5
CAS Name: 1-(4-chlorophenyl)-3-ethylthiourea
OPENEYE Name: 1-(4-chlorophenyl)-3-ethyl-thiourea
IUPAC Name: 1-(4-chlorophenyl)-3-ethylthiourea
SYSTEMATIC NAME: 1-(4-chlorophenyl)-3-ethyl-thiourea
MOLECULAR FORMULA: C9H11ClN2S
MOLECULAR WEIGHT: 214.71504
SMILES: CCNC(=S)NC1=CC=C(C=C1)Cl
Structure:
CAS RN: 40332-16-9
CAS Name: 2-(1-benzimidazolyl)acetic acid
OPENEYE Name: 2-(benzimidazol-1-yl)acetic acid
IUPAC Name: 2-(benzimidazol-1-yl)acetic acid
SYSTEMATIC NAME: 2-(benzimidazol-1-yl)ethanoic acid
MOLECULAR FORMULA: C9H8N2O2
MOLECULAR WEIGHT: 176.17202
SMILES: C1=CC=C2C(=C1)N=CN2CC(=O)O
Structure:
CAS RN: 7079-87-0
CAS Name: (2-chloro-5-nitrophenyl)-(3,4-dimethylphenyl)methanone
OPENEYE Name: (2-chloro-5-nitro-phenyl)-(3,4-dimethylphenyl)methanone
IUPAC Name: (2-chloro-5-nitrophenyl)-(3,4-dimethylphenyl)methanone
SYSTEMATIC NAME: (2-chloranyl-5-nitro-phenyl)-(3,4-dimethylphenyl)methanone
MOLECULAR FORMULA: C15H12ClNO3
MOLECULAR WEIGHT: 289.71368
SMILES: CC1=C(C=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C
Structure:
CAS RN: 5580-89-2
CAS Name: 2-[(2,5-dichlorophenyl)methyl]-1-methyl-4-nitrobenzene
OPENEYE Name: 2-[(2,5-dichlorophenyl)methyl]-1-methyl-4-nitro-benzene
IUPAC Name: 2-[(2,5-dichlorophenyl)methyl]-1-methyl-4-nitrobenzene
SYSTEMATIC NAME: 2-[[2,5-bis(chloranyl)phenyl]methyl]-1-methyl-4-nitro-benzene
MOLECULAR FORMULA: C14H11Cl2NO2
MOLECULAR WEIGHT: 296.14864
SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])CC2=C(C=CC(=C2)Cl)Cl
Structure:
CAS RN: 15866-68-9
CAS Name: (3,4-dimethylphenyl)-(2-furanyl)methanone
OPENEYE Name: (3,4-dimethylphenyl)-(2-furyl)methanone
IUPAC Name: (3,4-dimethylphenyl)-(furan-2-yl)methanone
SYSTEMATIC NAME: (3,4-dimethylphenyl)-(furan-2-yl)methanone
MOLECULAR FORMULA: C13H12O2
MOLECULAR WEIGHT: 200.23318
SMILES: CC1=C(C=C(C=C1)C(=O)C2=CC=CO2)C
Structure:
CAS RN: 5310-26-9
CAS Name: N-(4-methoxyphenyl)benzenecarbothioamide
OPENEYE Name: N-(4-methoxyphenyl)benzenecarbothioamide
IUPAC Name: N-(4-methoxyphenyl)benzenecarbothioamide
SYSTEMATIC NAME: N-(4-methoxyphenyl)benzenecarbothioamide
MOLECULAR FORMULA: C14H13NOS
MOLECULAR WEIGHT: 243.32412
SMILES: COC1=CC=C(C=C1)NC(=S)C2=CC=CC=C2
Structure:
CAS RN: 81066-86-6
CAS Name: 2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazolin-4-one
OPENEYE Name: 2-thioxo-3-[3-(trifluoromethyl)phenyl]-1H-quinazolin-4-one
IUPAC Name: 2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazolin-4-one
SYSTEMATIC NAME: 2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazolin-4-one
MOLECULAR FORMULA: C15H9F3N2OS
MOLECULAR WEIGHT: 322.30497
SMILES: C1=CC=C2C(=C1)C(=O)N(C(=S)N2)C3=CC=CC(=C3)C(F)(F)F
Structure:
CAS RN: 436088-64-1
CAS Name: 3-amino-8-phenyl-7,9-dioxa-4-thia-2-azaspiro[4.5]dec-2-en-1-one
OPENEYE Name: 3-amino-8-phenyl-7,9-dioxa-4-thia-2-azaspiro[4.5]dec-2-en-1-one
IUPAC Name: 3-amino-8-phenyl-7,9-dioxa-4-thia-2-azaspiro[4.5]dec-2-en-1-one
SYSTEMATIC NAME: 3-azanyl-8-phenyl-7,9-dioxa-4-thia-2-azaspiro[4.5]dec-2-en-1-one
MOLECULAR FORMULA: C12H12N2O3S
MOLECULAR WEIGHT: 264.30028
SMILES: C1C2(COC(O1)C3=CC=CC=C3)C(=O)N=C(S2)N
Structure:
CAS RN: 24192-82-3
CAS Name: 12H-benzimidazolo[1,2-c]quinazoline-6-thione
OPENEYE Name: 12H-benzimidazolo[1,2-c]quinazoline-6-thione
IUPAC Name: 12H-benzimidazolo[1,2-c]quinazoline-6-thione
SYSTEMATIC NAME: 12H-benzimidazolo[1,2-c]quinazoline-6-thione
MOLECULAR FORMULA: C14H9N3S
MOLECULAR WEIGHT: 251.30636
SMILES: C1=CC=C2C(=C1)NC3=C4C=CC=CC4=NC(=S)N23
Structure:
CAS RN: 72030-16-1
CAS Name: (Z)-2-phenyl-3-thiophen-2-yl-2-propenenitrile
OPENEYE Name: (Z)-2-phenyl-3-(2-thienyl)prop-2-enenitrile
IUPAC Name: (Z)-2-phenyl-3-thiophen-2-ylprop-2-enenitrile
SYSTEMATIC NAME: (Z)-2-phenyl-3-thiophen-2-yl-prop-2-enenitrile
MOLECULAR FORMULA: C13H9NS
MOLECULAR WEIGHT: 211.28226
SMILES: C1=CC=C(C=C1)/C(=C/C2=CC=CS2)/C#N
Structure:
CAS RN: 50825-19-9
CAS Name: 4-(2-methyl-1H-indol-3-yl)-2-thiazolamine
OPENEYE Name: 4-(2-methyl-1H-indol-3-yl)thiazol-2-amine
IUPAC Name: 4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine
SYSTEMATIC NAME: 4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine
MOLECULAR FORMULA: C12H11N3S
MOLECULAR WEIGHT: 229.30084
SMILES: CC1=C(C2=CC=CC=C2N1)C3=CSC(=N3)N
Structure:
CAS RN: 5664-09-5
CAS Name: 1-(2,5-dichlorophenyl)sulfonyl-2-methylbenzimidazole
OPENEYE Name: 1-(2,5-dichlorophenyl)sulfonyl-2-methyl-benzimidazole
IUPAC Name: 1-(2,5-dichlorophenyl)sulfonyl-2-methylbenzimidazole
SYSTEMATIC NAME: 1-[2,5-bis(chloranyl)phenyl]sulfonyl-2-methyl-benzimidazole
MOLECULAR FORMULA: C14H10Cl2N2O2S
MOLECULAR WEIGHT: 341.2124
SMILES: CC1=NC2=CC=CC=C2N1S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl
Structure:
CAS RN: 5373-55-7
CAS Name: N-(4-methylphenyl)benzenecarbothioamide
OPENEYE Name: N-(p-tolyl)benzenecarbothioamide
IUPAC Name: N-(4-methylphenyl)benzenecarbothioamide
SYSTEMATIC NAME: N-(4-methylphenyl)benzenecarbothioamide
MOLECULAR FORMULA: C14H13NS
MOLECULAR WEIGHT: 227.32472
SMILES: CC1=CC=C(C=C1)NC(=S)C2=CC=CC=C2
Structure:
CAS RN: 110178-74-0
CAS Name: 4-(6-methyl-1H-benzimidazol-2-yl)aniline
OPENEYE Name: 4-(6-methyl-1H-benzimidazol-2-yl)aniline
IUPAC Name: 4-(6-methyl-1H-benzimidazol-2-yl)aniline
SYSTEMATIC NAME: 4-(6-methyl-1H-benzimidazol-2-yl)aniline
MOLECULAR FORMULA: C14H13N3
MOLECULAR WEIGHT: 223.27312
SMILES: CC1=CC2=C(C=C1)N=C(N2)C3=CC=C(C=C3)N
Structure:
CAS RN: 4069-35-6
CAS Name: N-(2-fluoro-5-methylphenyl)-1-phenylmethanesulfonamide
OPENEYE Name: N-(2-fluoro-5-methyl-phenyl)-1-phenyl-methanesulfonamide
IUPAC Name: N-(2-fluoro-5-methylphenyl)-1-phenylmethanesulfonamide
SYSTEMATIC NAME: N-(2-fluoranyl-5-methyl-phenyl)-1-phenyl-methanesulfonamide
MOLECULAR FORMULA: C14H14FNO2S
MOLECULAR WEIGHT: 279.329863
SMILES: CC1=CC(=C(C=C1)F)NS(=O)(=O)CC2=CC=CC=C2
Structure:
CAS RN: 436087-08-0
CAS Name: N,N-diethyl-2-(3-formyl-2-methyl-1-indolyl)acetamide
OPENEYE Name: N,N-diethyl-2-(3-formyl-2-methyl-indol-1-yl)acetamide
IUPAC Name: N,N-diethyl-2-(3-formyl-2-methylindol-1-yl)acetamide
SYSTEMATIC NAME: N,N-diethyl-2-(3-methanoyl-2-methyl-indol-1-yl)ethanamide
MOLECULAR FORMULA: C16H20N2O2
MOLECULAR WEIGHT: 272.3422
SMILES: CCN(CC)C(=O)CN1C(=C(C2=CC=CC=C21)C=O)C
Structure:
CAS RN: 433955-84-1
CAS Name: 2-methyl-1-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]-3-indolecarboxaldehyde
OPENEYE Name: 2-methyl-1-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]indole-3-carbaldehyde
IUPAC Name: 2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carbaldehyde
SYSTEMATIC NAME: 2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]indole-3-carbaldehyde
MOLECULAR FORMULA: C18H22N2O2
MOLECULAR WEIGHT: 298.37948
SMILES: CC1CCN(CC1)C(=O)CN2C(=C(C3=CC=CC=C32)C=O)C
Structure:
CAS RN: 16066-09-4
CAS Name: 1-(4-chlorophenyl)sulfonylpiperazine
OPENEYE Name: 1-(4-chlorophenyl)sulfonylpiperazine
IUPAC Name: 1-(4-chlorophenyl)sulfonylpiperazine
SYSTEMATIC NAME: 1-(4-chlorophenyl)sulfonylpiperazine
MOLECULAR FORMULA: C10H13ClN2O2S
MOLECULAR WEIGHT: 260.74042
SMILES: C1CN(CCN1)S(=O)(=O)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 16017-53-1
CAS Name: 1-(4-chlorophenyl)sulfonylpiperazine
OPENEYE Name: 1-(4-chlorophenyl)sulfonylpiperazine
IUPAC Name: 1-(4-chlorophenyl)sulfonylpiperazine
SYSTEMATIC NAME: 1-(4-chlorophenyl)sulfonylpiperazine
MOLECULAR FORMULA: C10H13ClN2O2S
MOLECULAR WEIGHT: 260.74042
SMILES: C1CN(CCN1)S(=O)(=O)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 149622-77-5
CAS Name: 3-(4-aminophenyl)-4-methyl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 3-(4-aminophenyl)-4-methyl-1H-1,2,4-triazole-5-thione
IUPAC Name: 3-(4-aminophenyl)-4-methyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-(4-aminophenyl)-4-methyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C9H10N4S
MOLECULAR WEIGHT: 206.2675
SMILES: CN1C(=NNC1=S)C2=CC=C(C=C2)N
Structure:
CAS RN: 151409-84-6
CAS Name: 1-propan-2-yl-3-indolecarboxaldehyde
OPENEYE Name: 1-isopropylindole-3-carbaldehyde
IUPAC Name: 1-propan-2-ylindole-3-carbaldehyde
SYSTEMATIC NAME: 1-propan-2-ylindole-3-carbaldehyde
MOLECULAR FORMULA: C12H13NO
MOLECULAR WEIGHT: 187.23772
SMILES: CC(C)N1C=C(C2=CC=CC=C21)C=O
Structure:
CAS RN: 27065-94-7
CAS Name: 2-(3-formyl-1-indolyl)acetic acid ethyl ester
OPENEYE Name: ethyl 2-(3-formylindol-1-yl)acetate
IUPAC Name: ethyl 2-(3-formylindol-1-yl)acetate
SYSTEMATIC NAME: ethyl 2-(3-methanoylindol-1-yl)ethanoate
MOLECULAR FORMULA: C13H13NO3
MOLECULAR WEIGHT: 231.24722
SMILES: CCOC(=O)CN1C=C(C2=CC=CC=C21)C=O
Structure:
CAS RN: 230283-19-9
CAS Name: 2-methyl-1-prop-2-enyl-3-indolecarboxaldehyde
OPENEYE Name: 1-allyl-2-methyl-indole-3-carbaldehyde
IUPAC Name: 2-methyl-1-prop-2-enylindole-3-carbaldehyde
SYSTEMATIC NAME: 2-methyl-1-prop-2-enyl-indole-3-carbaldehyde
MOLECULAR FORMULA: C13H13NO
MOLECULAR WEIGHT: 199.24842
SMILES: CC1=C(C2=CC=CC=C2N1CC=C)C=O
Structure:
CAS RN: 409353-81-7
CAS Name: 1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolecarboxaldehyde
OPENEYE Name: 1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrole-3-carbaldehyde
IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrole-3-carbaldehyde
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrole-3-carbaldehyde
MOLECULAR FORMULA: C14H13NO3
MOLECULAR WEIGHT: 243.25792
SMILES: CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C=O
Structure:
CAS RN: 32780-41-9
CAS Name: 1-[4-(dimethylamino)phenyl]-2,5-dimethyl-3-pyrrolecarboxaldehyde
OPENEYE Name: 1-[4-(dimethylamino)phenyl]-2,5-dimethyl-pyrrole-3-carbaldehyde
IUPAC Name: 1-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrole-3-carbaldehyde
SYSTEMATIC NAME: 1-[4-(dimethylamino)phenyl]-2,5-dimethyl-pyrrole-3-carbaldehyde
MOLECULAR FORMULA: C15H18N2O
MOLECULAR WEIGHT: 242.31622
SMILES: CC1=CC(=C(N1C2=CC=C(C=C2)N(C)C)C)C=O
Structure:
CAS RN: 111480-86-5
CAS Name: 1-prop-2-enyl-3-indolecarboxaldehyde
OPENEYE Name: 1-allylindole-3-carbaldehyde
IUPAC Name: 1-prop-2-enylindole-3-carbaldehyde
SYSTEMATIC NAME: 1-prop-2-enylindole-3-carbaldehyde
MOLECULAR FORMULA: C12H11NO
MOLECULAR WEIGHT: 185.22184
SMILES: C=CCN1C=C(C2=CC=CC=C21)C=O
Structure:
CAS RN: 436088-58-3
CAS Name: 5-(1-azepanyl)-2-furancarboxaldehyde
OPENEYE Name: 5-(azepan-1-yl)furan-2-carbaldehyde
IUPAC Name: 5-(azepan-1-yl)furan-2-carbaldehyde
SYSTEMATIC NAME: 5-(azepan-1-yl)furan-2-carbaldehyde
MOLECULAR FORMULA: C11H15NO2
MOLECULAR WEIGHT: 193.2423
SMILES: C1CCCN(CC1)C2=CC=C(O2)C=O
Structure:
CAS RN: 39995-50-1
CAS Name: 5-(phenylthio)-2-furancarboxaldehyde
OPENEYE Name: 5-phenylsulfanylfuran-2-carbaldehyde
IUPAC Name: 5-phenylsulfanylfuran-2-carbaldehyde
SYSTEMATIC NAME: 5-phenylsulfanylfuran-2-carbaldehyde
MOLECULAR FORMULA: C11H8O2S
MOLECULAR WEIGHT: 204.24502
SMILES: C1=CC=C(C=C1)SC2=CC=C(O2)C=O
Structure:
CAS RN: 107952-04-5
CAS Name: 3-[(2-methoxyphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 3-[(2-methoxyphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
IUPAC Name: 3-[(2-methoxyphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-[(2-methoxyphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C16H15N3O2S
MOLECULAR WEIGHT: 313.3742
SMILES: COC1=CC=CC=C1OCC2=NNC(=S)N2C3=CC=CC=C3
Structure:
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