CAS RN: 62970-88-1
CAS Name: 4-[bis[(phenylmethyl)sulfonyl]methyl]benzonitrile
OPENEYE Name: 4-[bis(benzylsulfonyl)methyl]benzonitrile
IUPAC Name: 4-[bis(benzylsulfonyl)methyl]benzonitrile
SYSTEMATIC NAME: 4-[bis[(phenylmethyl)sulfonyl]methyl]benzenecarbonitrile
MOLECULAR FORMULA: C22H19NO4S2
MOLECULAR WEIGHT: 425.52056
SMILES: C1=CC=C(C=C1)CS(=O)(=O)C(C2=CC=C(C=C2)C#N)S(=O)(=O)CC3=CC=CC=C3
Structure:
CAS RN: 62970-87-0
CAS Name: [phenyl-(phenylmethyl)sulfonylmethyl]sulfonylmethylbenzene
OPENEYE Name: [benzylsulfonyl(phenyl)methyl]sulfonylmethylbenzene
IUPAC Name: [benzylsulfonyl(phenyl)methyl]sulfonylmethylbenzene
SYSTEMATIC NAME: [phenyl-(phenylmethyl)sulfonyl-methyl]sulfonylmethylbenzene
MOLECULAR FORMULA: C21H20O4S2
MOLECULAR WEIGHT: 400.5111
SMILES: C1=CC=C(C=C1)CS(=O)(=O)C(C2=CC=CC=C2)S(=O)(=O)CC3=CC=CC=C3
Structure:
CAS RN: 73210-45-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H13N7O5
MOLECULAR WEIGHT: 335.27552
SMILES: C1=NC2=C(C3=C(N2C4C(C(C(O4)CO)O)O)NN=NC3=O)C(=N1)N
Structure:
CAS RN: 71016-18-7
CAS Name: N-[[3-(4-bromophenyl)-4-oxo-2-thiazolidinylidene]amino]-2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetamide
OPENEYE Name: N-[[3-(4-bromophenyl)-4-oxo-thiazolidin-2-ylidene]amino]-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetamide
IUPAC Name: N-[[3-(4-bromophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
SYSTEMATIC NAME: N-[[3-(4-bromophenyl)-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide
MOLECULAR FORMULA: C18H16BrN7O4S
MOLECULAR WEIGHT: 506.33314
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NN=C3N(C(=O)CS3)C4=CC=C(C=C4)Br
Structure:
CAS RN: 70863-01-3
CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[(4-oxo-3-phenyl-2-thiazolidinylidene)amino]acetamide
OPENEYE Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[(4-oxo-3-phenyl-thiazolidin-2-ylidene)amino]acetamide
IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]acetamide
SYSTEMATIC NAME: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-[(4-oxidanylidene-3-phenyl-1,3-thiazolidin-2-ylidene)amino]ethanamide
MOLECULAR FORMULA: C18H17N7O4S
MOLECULAR WEIGHT: 427.43708
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NN=C3N(C(=O)CS3)C4=CC=CC=C4
Structure:
CAS RN: 70863-00-2
CAS Name: N-[(3-butyl-4-oxo-2-thiazolidinylidene)amino]-2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetamide
OPENEYE Name: N-[(3-butyl-4-oxo-thiazolidin-2-ylidene)amino]-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetamide
IUPAC Name: N-[(3-butyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
SYSTEMATIC NAME: N-[(3-butyl-4-oxidanylidene-1,3-thiazolidin-2-ylidene)amino]-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide
MOLECULAR FORMULA: C16H21N7O4S
MOLECULAR WEIGHT: 407.44744
SMILES: CCCCN1C(=O)CSC1=NNC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C
Structure:
CAS RN: 70492-71-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H10O4
MOLECULAR WEIGHT: 182.1733
SMILES: CC12C3C(COC3=O)C(=O)C1(O2)C
Structure:
CAS RN: 59304-01-7
CAS Name: 2-(3-bromoanilino)-N'-(4-methylphenyl)sulfonylbenzohydrazide
OPENEYE Name: 2-(3-bromoanilino)-N'-(p-tolylsulfonyl)benzohydrazide
IUPAC Name: 2-(3-bromoanilino)-N'-(4-methylphenyl)sulfonylbenzohydrazide
SYSTEMATIC NAME: 2-[(3-bromophenyl)amino]-N'-(4-methylphenyl)sulfonyl-benzohydrazide
MOLECULAR FORMULA: C20H18BrN3O3S
MOLECULAR WEIGHT: 460.34422
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC=CC=C2NC3=CC(=CC=C3)Br
Structure:
CAS RN: 60565-60-8
CAS Name: 2,2,2-trichloro-1-(2-oxiranyl)ethanone
OPENEYE Name: 2,2,2-trichloro-1-(oxiran-2-yl)ethanone
IUPAC Name: 2,2,2-trichloro-1-(oxiran-2-yl)ethanone
SYSTEMATIC NAME: 2,2,2-tris(chloranyl)-1-(oxiran-2-yl)ethanone
MOLECULAR FORMULA: C4H3Cl3O2
MOLECULAR WEIGHT: 189.42442
SMILES: C1C(O1)C(=O)C(Cl)(Cl)Cl
Structure:
CAS RN: 51883-92-2
CAS Name: N-[amino-(3,5-dimethyl-1-pyrazolyl)methylidene]-4-nitrobenzamide
OPENEYE Name: N-[amino-(3,5-dimethylpyrazol-1-yl)methylene]-4-nitro-benzamide
IUPAC Name: N-[amino-(3,5-dimethylpyrazol-1-yl)methylidene]-4-nitrobenzamide
SYSTEMATIC NAME: N-[azanyl-(3,5-dimethylpyrazol-1-yl)methylidene]-4-nitro-benzamide
MOLECULAR FORMULA: C13H13N5O3
MOLECULAR WEIGHT: 287.27402
SMILES: CC1=CC(=NN1C(=NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])N)C
Structure:
CAS RN: 51883-91-1
CAS Name: N-[amino-(3,5-dimethyl-1-pyrazolyl)methylidene]-4-methoxybenzamide
OPENEYE Name: N-[amino-(3,5-dimethylpyrazol-1-yl)methylene]-4-methoxy-benzamide
IUPAC Name: N-[amino-(3,5-dimethylpyrazol-1-yl)methylidene]-4-methoxybenzamide
SYSTEMATIC NAME: N-[azanyl-(3,5-dimethylpyrazol-1-yl)methylidene]-4-methoxy-benzamide
MOLECULAR FORMULA: C14H16N4O2
MOLECULAR WEIGHT: 272.30244
SMILES: CC1=CC(=NN1C(=NC(=O)C2=CC=C(C=C2)OC)N)C
Structure:
CAS RN: 51883-88-6
CAS Name: N-[amino-(3,5-dimethyl-1-pyrazolyl)methylidene]benzamide
OPENEYE Name: N-[amino-(3,5-dimethylpyrazol-1-yl)methylene]benzamide
IUPAC Name: N-[amino-(3,5-dimethylpyrazol-1-yl)methylidene]benzamide
SYSTEMATIC NAME: N-[azanyl-(3,5-dimethylpyrazol-1-yl)methylidene]benzamide
MOLECULAR FORMULA: C13H14N4O
MOLECULAR WEIGHT: 242.27646
SMILES: CC1=CC(=NN1C(=NC(=O)C2=CC=CC=C2)N)C
Structure:
CAS RN: 69056-26-4
CAS Name: 2-[(4-nitrophenyl)-oxomethoxy]-3-phenylpropanoic acid
OPENEYE Name: 2-(4-nitrobenzoyl)oxy-3-phenyl-propanoic acid
IUPAC Name: 2-(4-nitrobenzoyl)oxy-3-phenylpropanoic acid
SYSTEMATIC NAME: 2-(4-nitrophenyl)carbonyloxy-3-phenyl-propanoic acid
MOLECULAR FORMULA: C16H13NO6
MOLECULAR WEIGHT: 315.27752
SMILES: C1=CC=C(C=C1)CC(C(=O)O)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 62841-01-4
CAS Name: 2-[(4-nitrophenyl)-oxomethoxy]-2-phenylacetic acid
OPENEYE Name: 2-(4-nitrobenzoyl)oxy-2-phenyl-acetic acid
IUPAC Name: 2-(4-nitrobenzoyl)oxy-2-phenylacetic acid
SYSTEMATIC NAME: 2-(4-nitrophenyl)carbonyloxy-2-phenyl-ethanoic acid
MOLECULAR FORMULA: C15H11NO6
MOLECULAR WEIGHT: 301.25094
SMILES: C1=CC=C(C=C1)C(C(=O)O)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 10414-66-1
CAS Name: 2-[(4-nitrophenyl)-oxomethoxy]acetic acid
OPENEYE Name: 2-(4-nitrobenzoyl)oxyacetic acid
IUPAC Name: 2-(4-nitrobenzoyl)oxyacetic acid
SYSTEMATIC NAME: 2-(4-nitrophenyl)carbonyloxyethanoic acid
MOLECULAR FORMULA: C9H7NO6
MOLECULAR WEIGHT: 225.15498
SMILES: C1=CC(=CC=C1C(=O)OCC(=O)O)[N+](=O)[O-]
Structure:
CAS RN: 62981-83-3
CAS Name: 2-amino-6-[(dimethylamino)methyl]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
OPENEYE Name: 2-amino-6-[(dimethylamino)methyl]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
IUPAC Name: 2-amino-6-[(dimethylamino)methyl]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 2-azanyl-6-[(dimethylamino)methyl]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C9H13N5O
MOLECULAR WEIGHT: 207.23242
SMILES: CN(C)CC1=CC2=C(N1)NC(=NC2=O)N
Structure:
CAS RN: 62981-82-2
CAS Name: 2-amino-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
OPENEYE Name: 2-amino-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
IUPAC Name: 2-amino-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 2-azanyl-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C7H8N4O
MOLECULAR WEIGHT: 164.16462
SMILES: CC1=CC2=C(N1)NC(=NC2=O)N
Structure:
CAS RN: 63072-28-6
CAS Name: 2,4,6-tris(4-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]thiopyran
OPENEYE Name: 2,4,6-tris(4-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]thiopyran
IUPAC Name: 2,4,6-tris(4-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]thiopyran
SYSTEMATIC NAME: 2,4,6-tris(4-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]thiopyran
MOLECULAR FORMULA: C33H27F3O3S
MOLECULAR WEIGHT: 560.62589
SMILES: COC1=CC=C(C=C1)C2=CC(C=C(S2)C3=CC=C(C=C3)OC)(C4=CC=C(C=C4)C(F)(F)F)C5=CC=C(C=C5)OC
Structure:
CAS RN: 63072-27-5
CAS Name: 2,4,6-triphenyl-4-[4-(trifluoromethyl)phenyl]thiopyran
OPENEYE Name: 2,4,6-triphenyl-4-[4-(trifluoromethyl)phenyl]thiopyran
IUPAC Name: 2,4,6-triphenyl-4-[4-(trifluoromethyl)phenyl]thiopyran
SYSTEMATIC NAME: 2,4,6-triphenyl-4-[4-(trifluoromethyl)phenyl]thiopyran
MOLECULAR FORMULA: C30H21F3S
MOLECULAR WEIGHT: 470.54795
SMILES: C1=CC=C(C=C1)C2=CC(C=C(S2)C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=C(C=C5)C(F)(F)F
Structure:
CAS RN: 58881-41-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H10N2O2
MOLECULAR WEIGHT: 286.2842
SMILES: C1=CC=C2C(=C1)C=C3N2C(=O)C4=CC5=CC=CC=C5N4C3=O
Structure:
CAS RN: 63124-91-4
CAS Name: N-(5-dodecyl-6-methoxy-3,4-dioxo-1-cyclohexa-1,5-dienyl)dodecanamide
OPENEYE Name: N-(5-dodecyl-6-methoxy-3,4-dioxo-cyclohexa-1,5-dien-1-yl)dodecanamide
IUPAC Name: N-(5-dodecyl-6-methoxy-3,4-dioxocyclohexa-1,5-dien-1-yl)dodecanamide
SYSTEMATIC NAME: N-[5-dodecyl-6-methoxy-3,4-bis(oxidanylidene)cyclohexa-1,5-dien-1-yl]dodecanamide
MOLECULAR FORMULA: C31H53NO4
MOLECULAR WEIGHT: 503.75682
SMILES: CCCCCCCCCCCCC1=C(C(=CC(=O)C1=O)NC(=O)CCCCCCCCCCC)OC
Structure:
CAS RN: 62368-24-5
CAS Name: N,N-dimethyl-6-nitro-2,3-dihydroindole-1-carboxamide
OPENEYE Name: N,N-dimethyl-6-nitro-indoline-1-carboxamide
IUPAC Name: N,N-dimethyl-6-nitro-2,3-dihydroindole-1-carboxamide
SYSTEMATIC NAME: N,N-dimethyl-6-nitro-2,3-dihydroindole-1-carboxamide
MOLECULAR FORMULA: C11H13N3O3
MOLECULAR WEIGHT: 235.23922
SMILES: CN(C)C(=O)N1CCC2=C1C=C(C=C2)[N+](=O)[O-]
Structure:
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