CAS RN: 436092-66-9
CAS Name: 4-ethyl-3-[(5-phenyl-2-tetrazolyl)methyl]-1H-1,2,4-triazole-5-thione
OPENEYE Name: 4-ethyl-3-[(5-phenyltetrazol-2-yl)methyl]-1H-1,2,4-triazole-5-thione
IUPAC Name: 4-ethyl-3-[(5-phenyltetrazol-2-yl)methyl]-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-ethyl-3-[(5-phenyl-1,2,3,4-tetrazol-2-yl)methyl]-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C12H13N7S
MOLECULAR WEIGHT: 287.34352
SMILES: CCN1C(=NNC1=S)CN2N=C(N=N2)C3=CC=CC=C3
Structure:
CAS RN: 304018-04-0
CAS Name: (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-chlorophenyl)methanone
OPENEYE Name: (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-chlorophenyl)methanone
IUPAC Name: (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-chlorophenyl)methanone
SYSTEMATIC NAME: (2-azanyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-chlorophenyl)methanone
MOLECULAR FORMULA: C14H12ClNOS
MOLECULAR WEIGHT: 277.76918
SMILES: C1CC2=C(C1)SC(=C2C(=O)C3=CC=C(C=C3)Cl)N
Structure:
CAS RN: 436100-13-9
CAS Name: 2-(2-methyl-5-tetrazolyl)aniline
OPENEYE Name: 2-(2-methyltetrazol-5-yl)aniline
IUPAC Name: 2-(2-methyltetrazol-5-yl)aniline
SYSTEMATIC NAME: 2-(2-methyl-1,2,3,4-tetrazol-5-yl)aniline
MOLECULAR FORMULA: C8H9N5
MOLECULAR WEIGHT: 175.19056
SMILES: CN1N=C(N=N1)C2=CC=CC=C2N
Structure:
CAS RN: 436093-06-0
CAS Name: 2-[5-(2-aminophenyl)-2-tetrazolyl]-N-(5-methyl-3-isoxazolyl)acetamide
OPENEYE Name: 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(5-methylisoxazol-3-yl)acetamide
IUPAC Name: 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SYSTEMATIC NAME: 2-[5-(2-aminophenyl)-1,2,3,4-tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide
MOLECULAR FORMULA: C13H13N7O2
MOLECULAR WEIGHT: 299.28802
SMILES: CC1=CC(=NO1)NC(=O)CN2N=C(N=N2)C3=CC=CC=C3N
Structure:
CAS RN: 436090-50-5
CAS Name: N-(5-amino-2-methoxyphenyl)-2-(1-piperidinyl)acetamide
OPENEYE Name: N-(5-amino-2-methoxy-phenyl)-2-(1-piperidyl)acetamide
IUPAC Name: N-(5-amino-2-methoxyphenyl)-2-piperidin-1-ylacetamide
SYSTEMATIC NAME: N-(5-azanyl-2-methoxy-phenyl)-2-piperidin-1-yl-ethanamide
MOLECULAR FORMULA: C14H21N3O2
MOLECULAR WEIGHT: 263.33544
SMILES: COC1=C(C=C(C=C1)N)NC(=O)CN2CCCCC2
Structure:
CAS RN: 436090-56-1
CAS Name: N-(4-amino-2-methylphenyl)-2-(4-methyl-1-piperidinyl)acetamide
OPENEYE Name: N-(4-amino-2-methyl-phenyl)-2-(4-methyl-1-piperidyl)acetamide
IUPAC Name: N-(4-amino-2-methylphenyl)-2-(4-methylpiperidin-1-yl)acetamide
SYSTEMATIC NAME: N-(4-azanyl-2-methyl-phenyl)-2-(4-methylpiperidin-1-yl)ethanamide
MOLECULAR FORMULA: C15H23N3O
MOLECULAR WEIGHT: 261.36262
SMILES: CC1CCN(CC1)CC(=O)NC2=C(C=C(C=C2)N)C
Structure:
CAS RN: 436092-90-9
CAS Name: 2-[5-(4-aminophenyl)-2-tetrazolyl]-N-(5-methyl-3-isoxazolyl)acetamide
OPENEYE Name: 2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(5-methylisoxazol-3-yl)acetamide
IUPAC Name: 2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SYSTEMATIC NAME: 2-[5-(4-aminophenyl)-1,2,3,4-tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide
MOLECULAR FORMULA: C13H13N7O2
MOLECULAR WEIGHT: 299.28802
SMILES: CC1=CC(=NO1)NC(=O)CN2N=C(N=N2)C3=CC=C(C=C3)N
Structure:
CAS RN: 436092-98-7
CAS Name: 2-[5-(4-aminophenyl)-2-tetrazolyl]-N-cyclopentylacetamide
OPENEYE Name: 2-[5-(4-aminophenyl)tetrazol-2-yl]-N-cyclopentyl-acetamide
IUPAC Name: 2-[5-(4-aminophenyl)tetrazol-2-yl]-N-cyclopentylacetamide
SYSTEMATIC NAME: 2-[5-(4-aminophenyl)-1,2,3,4-tetrazol-2-yl]-N-cyclopentyl-ethanamide
MOLECULAR FORMULA: C14H18N6O
MOLECULAR WEIGHT: 286.33232
SMILES: C1CCC(C1)NC(=O)CN2N=C(N=N2)C3=CC=C(C=C3)N
Structure:
CAS RN: 436092-99-8
CAS Name: 2-[5-(4-aminophenyl)-2-tetrazolyl]-N-phenylacetamide
OPENEYE Name: 2-[5-(4-aminophenyl)tetrazol-2-yl]-N-phenyl-acetamide
IUPAC Name: 2-[5-(4-aminophenyl)tetrazol-2-yl]-N-phenylacetamide
SYSTEMATIC NAME: 2-[5-(4-aminophenyl)-1,2,3,4-tetrazol-2-yl]-N-phenyl-ethanamide
MOLECULAR FORMULA: C15H14N6O
MOLECULAR WEIGHT: 294.31126
SMILES: C1=CC=C(C=C1)NC(=O)CN2N=C(N=N2)C3=CC=C(C=C3)N
Structure:
CAS RN: 436092-82-9
CAS Name: 2-[5-(2-aminophenyl)-2-tetrazolyl]acetamide
OPENEYE Name: 2-[5-(2-aminophenyl)tetrazol-2-yl]acetamide
IUPAC Name: 2-[5-(2-aminophenyl)tetrazol-2-yl]acetamide
SYSTEMATIC NAME: 2-[5-(2-aminophenyl)-1,2,3,4-tetrazol-2-yl]ethanamide
MOLECULAR FORMULA: C9H10N6O
MOLECULAR WEIGHT: 218.2153
SMILES: C1=CC=C(C(=C1)C2=NN(N=N2)CC(=O)N)N
Structure:
CAS RN: 3921-17-3
CAS Name: 2-(diethylamino)-N-[5-methyl-3-[(4-methylphenyl)-oxomethyl]-2-thiophenyl]acetamide
OPENEYE Name: 2-(diethylamino)-N-[5-methyl-3-(4-methylbenzoyl)-2-thienyl]acetamide
IUPAC Name: 2-(diethylamino)-N-[5-methyl-3-(4-methylbenzoyl)thiophen-2-yl]acetamide
SYSTEMATIC NAME: 2-(diethylamino)-N-[5-methyl-3-(4-methylphenyl)carbonyl-thiophen-2-yl]ethanamide
MOLECULAR FORMULA: C19H24N2O2S
MOLECULAR WEIGHT: 344.47106
SMILES: CCN(CC)CC(=O)NC1=C(C=C(S1)C)C(=O)C2=CC=C(C=C2)C
Structure:
CAS RN: 31557-87-6
CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid
OPENEYE Name: 4-[(2-cyanoacetyl)amino]benzoic acid
IUPAC Name: 4-[(2-cyanoacetyl)amino]benzoic acid
SYSTEMATIC NAME: 4-(2-cyanoethanoylamino)benzoic acid
MOLECULAR FORMULA: C10H8N2O3
MOLECULAR WEIGHT: 204.18212
SMILES: C1=CC(=CC=C1C(=O)O)NC(=O)CC#N
Structure:
CAS RN: 64614-49-9
CAS Name: (6-chloro-3-pyridinyl)-(4-morpholinyl)methanone
OPENEYE Name: (6-chloro-3-pyridyl)-morpholino-methanone
IUPAC Name: (6-chloropyridin-3-yl)-morpholin-4-ylmethanone
SYSTEMATIC NAME: (6-chloranylpyridin-3-yl)-morpholin-4-yl-methanone
MOLECULAR FORMULA: C10H11ClN2O2
MOLECULAR WEIGHT: 226.65954
SMILES: C1COCCN1C(=O)C2=CN=C(C=C2)Cl
Structure:
CAS RN: 64614-48-8
CAS Name: (6-chloro-3-pyridinyl)-(1-piperidinyl)methanone
OPENEYE Name: (6-chloro-3-pyridyl)-(1-piperidyl)methanone
IUPAC Name: (6-chloropyridin-3-yl)-piperidin-1-ylmethanone
SYSTEMATIC NAME: (6-chloranylpyridin-3-yl)-piperidin-1-yl-methanone
MOLECULAR FORMULA: C11H13ClN2O
MOLECULAR WEIGHT: 224.68672
SMILES: C1CCN(CC1)C(=O)C2=CN=C(C=C2)Cl
Structure:
CAS RN: 588680-36-8
CAS Name: 4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 3-isopropyl-4-methyl-1H-1,2,4-triazole-5-thione
IUPAC Name: 4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-methyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C6H11N3S
MOLECULAR WEIGHT: 157.23664
SMILES: CC(C)C1=NNC(=S)N1C
Structure:
CAS RN: 66921-11-7
CAS Name: 4-ethyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 4-ethyl-3-isopropyl-1H-1,2,4-triazole-5-thione
IUPAC Name: 4-ethyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-ethyl-3-propan-2-yl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C7H13N3S
MOLECULAR WEIGHT: 171.26322
SMILES: CCN1C(=NNC1=S)C(C)C
Structure:
CAS RN: 588687-37-0
CAS Name: 3-cyclopropyl-4-methyl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 3-cyclopropyl-4-methyl-1H-1,2,4-triazole-5-thione
IUPAC Name: 3-cyclopropyl-4-methyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-cyclopropyl-4-methyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C6H9N3S
MOLECULAR WEIGHT: 155.22076
SMILES: CN1C(=NNC1=S)C2CC2
Structure:
CAS RN: 603981-93-7
CAS Name: 3-cyclopropyl-4-propyl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 3-cyclopropyl-4-propyl-1H-1,2,4-triazole-5-thione
IUPAC Name: 3-cyclopropyl-4-propyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-cyclopropyl-4-propyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C8H13N3S
MOLECULAR WEIGHT: 183.27392
SMILES: CCCN1C(=NNC1=S)C2CC2
Structure:
CAS RN: 332909-71-4
CAS Name: 2-hydroxy-4-(1-tetrazolyl)benzoic acid
OPENEYE Name: 2-hydroxy-4-(tetrazol-1-yl)benzoic acid
IUPAC Name: 2-hydroxy-4-(tetrazol-1-yl)benzoic acid
SYSTEMATIC NAME: 2-oxidanyl-4-(1,2,3,4-tetrazol-1-yl)benzoic acid
MOLECULAR FORMULA: C8H6N4O3
MOLECULAR WEIGHT: 206.15824
SMILES: C1=CC(=C(C=C1N2C=NN=N2)O)C(=O)O
Structure:
CAS RN: 158553-38-9
CAS Name: 1-[2-[5-(4-nitrophenyl)-2-tetrazolyl]ethyl]piperidine
OPENEYE Name: 1-[2-[5-(4-nitrophenyl)tetrazol-2-yl]ethyl]piperidine
IUPAC Name: 1-[2-[5-(4-nitrophenyl)tetrazol-2-yl]ethyl]piperidine
SYSTEMATIC NAME: 1-[2-[5-(4-nitrophenyl)-1,2,3,4-tetrazol-2-yl]ethyl]piperidine
MOLECULAR FORMULA: C14H18N6O2
MOLECULAR WEIGHT: 302.33172
SMILES: C1CCN(CC1)CCN2N=C(N=N2)C3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 134826-35-0
CAS Name: 2-[(6-methoxy-2-methyl-4-quinolinyl)thio]-1-phenylethanone
OPENEYE Name: 2-[(6-methoxy-2-methyl-4-quinolyl)sulfanyl]-1-phenyl-ethanone
IUPAC Name: 2-(6-methoxy-2-methylquinolin-4-yl)sulfanyl-1-phenylethanone
SYSTEMATIC NAME: 2-(6-methoxy-2-methyl-quinolin-4-yl)sulfanyl-1-phenyl-ethanone
MOLECULAR FORMULA: C19H17NO2S
MOLECULAR WEIGHT: 323.40878
SMILES: CC1=NC2=C(C=C(C=C2)OC)C(=C1)SCC(=O)C3=CC=CC=C3
Structure:
CAS RN: 603981-94-8
CAS Name: 3-propan-2-yl-4-propyl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 3-isopropyl-4-propyl-1H-1,2,4-triazole-5-thione
IUPAC Name: 3-propan-2-yl-4-propyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-propan-2-yl-4-propyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C8H15N3S
MOLECULAR WEIGHT: 185.2898
SMILES: CCCN1C(=NNC1=S)C(C)C
Structure:
CAS RN: 87043-38-7
CAS Name: 1-ethyl-3-(3-methylphenyl)thiourea
OPENEYE Name: 1-ethyl-3-(m-tolyl)thiourea
IUPAC Name: 1-ethyl-3-(3-methylphenyl)thiourea
SYSTEMATIC NAME: 1-ethyl-3-(3-methylphenyl)thiourea
MOLECULAR FORMULA: C10H14N2S
MOLECULAR WEIGHT: 194.29656
SMILES: CCNC(=S)NC1=CC=CC(=C1)C
Structure:
CAS RN: 15863-23-7
CAS Name: 1-(4-ethoxyphenyl)-3-ethylthiourea
OPENEYE Name: 1-(4-ethoxyphenyl)-3-ethyl-thiourea
IUPAC Name: 1-(4-ethoxyphenyl)-3-ethylthiourea
SYSTEMATIC NAME: 1-(4-ethoxyphenyl)-3-ethyl-thiourea
MOLECULAR FORMULA: C11H16N2OS
MOLECULAR WEIGHT: 224.32254
SMILES: CCNC(=S)NC1=CC=C(C=C1)OCC
Structure:
CAS RN: 19207-92-2
CAS Name: 4-chloro-N-(4-hydroxyphenyl)benzamide
OPENEYE Name: 4-chloro-N-(4-hydroxyphenyl)benzamide
IUPAC Name: 4-chloro-N-(4-hydroxyphenyl)benzamide
SYSTEMATIC NAME: 4-chloranyl-N-(4-hydroxyphenyl)benzamide
MOLECULAR FORMULA: C13H10ClNO2
MOLECULAR WEIGHT: 247.677
SMILES: C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)O)Cl
Structure:
CAS RN: 2741-14-2
CAS Name: 1,1-dimethyl-3-(phenylmethyl)thiourea
OPENEYE Name: 3-benzyl-1,1-dimethyl-thiourea
IUPAC Name: 3-benzyl-1,1-dimethylthiourea
SYSTEMATIC NAME: 1,1-dimethyl-3-(phenylmethyl)thiourea
MOLECULAR FORMULA: C10H14N2S
MOLECULAR WEIGHT: 194.29656
SMILES: CN(C)C(=S)NCC1=CC=CC=C1
Structure:
CAS RN: 6662-59-5
CAS Name: 4-[2-(4-chlorophenyl)ethenyl]-1-ethylpyridin-1-ium
OPENEYE Name: 4-[2-(4-chlorophenyl)vinyl]-1-ethyl-pyridin-1-ium
IUPAC Name: 4-[2-(4-chlorophenyl)ethenyl]-1-ethylpyridin-1-ium
SYSTEMATIC NAME: 4-[2-(4-chlorophenyl)ethenyl]-1-ethyl-pyridin-1-ium
MOLECULAR FORMULA: C15H15ClN+
MOLECULAR WEIGHT: 244.7393
SMILES: CC[N+]1=CC=C(C=C1)C=CC2=CC=C(C=C2)Cl
Structure:
CAS RN: 13159-99-4
CAS Name: 4-[(4-methoxyanilino)methyl]-N,N-dimethylaniline
OPENEYE Name: 4-[(4-methoxyanilino)methyl]-N,N-dimethyl-aniline
IUPAC Name: 4-[(4-methoxyanilino)methyl]-N,N-dimethylaniline
SYSTEMATIC NAME: 4-[[(4-methoxyphenyl)amino]methyl]-N,N-dimethyl-aniline
MOLECULAR FORMULA: C16H20N2O
MOLECULAR WEIGHT: 256.3428
SMILES: CN(C)C1=CC=C(C=C1)CNC2=CC=C(C=C2)OC
Structure:
CAS RN: 16824-48-9
CAS Name: 5-chloro-2-(4-methylphenoxy)aniline
OPENEYE Name: 5-chloro-2-(4-methylphenoxy)aniline
IUPAC Name: 5-chloro-2-(4-methylphenoxy)aniline
SYSTEMATIC NAME: 5-chloranyl-2-(4-methylphenoxy)aniline
MOLECULAR FORMULA: C13H12ClNO
MOLECULAR WEIGHT: 233.69348
SMILES: CC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)N
Structure:
CAS RN: 41862-14-0
CAS Name: 6-amino-1,3-dipropylpyrimidine-2,4-dione
OPENEYE Name: 6-amino-1,3-dipropyl-pyrimidine-2,4-dione
IUPAC Name: 6-amino-1,3-dipropylpyrimidine-2,4-dione
SYSTEMATIC NAME: 6-azanyl-1,3-dipropyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C10H17N3O2
MOLECULAR WEIGHT: 211.26088
SMILES: CCCN1C(=CC(=O)N(C1=O)CCC)N
Structure:
CAS RN: 86660-12-0
CAS Name: 7-methyl-2-phenyl-3-thiazolo[3,2-a]pyrimidin-4-iumolate
OPENEYE Name: 7-methyl-2-phenyl-thiazolo[3,2-a]pyrimidin-4-ium-3-olate
IUPAC Name: 7-methyl-2-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-3-olate
SYSTEMATIC NAME: 7-methyl-2-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-3-olate
MOLECULAR FORMULA: C13H10N2OS
MOLECULAR WEIGHT: 242.2963
SMILES: CC1=NC2=[N+](C=C1)C(=C(S2)C3=CC=CC=C3)[O-]
Structure:
CAS RN: 71917-43-6
CAS Name: 2-hydroxy-2-(2-hydroxy-5-methoxyphenyl)indene-1,3-dione
OPENEYE Name: 2-hydroxy-2-(2-hydroxy-5-methoxy-phenyl)indane-1,3-dione
IUPAC Name: 2-hydroxy-2-(2-hydroxy-5-methoxyphenyl)indene-1,3-dione
SYSTEMATIC NAME: 2-(5-methoxy-2-oxidanyl-phenyl)-2-oxidanyl-indene-1,3-dione
MOLECULAR FORMULA: C16H12O5
MOLECULAR WEIGHT: 284.26348
SMILES: COC1=CC(=C(C=C1)O)C2(C(=O)C3=CC=CC=C3C2=O)O
Structure:
CAS RN: 6428-96-2
CAS Name: 1-(3,4-dichlorophenyl)-3-(2-pyridinylmethyl)urea
OPENEYE Name: 1-(3,4-dichlorophenyl)-3-(2-pyridylmethyl)urea
IUPAC Name: 1-(3,4-dichlorophenyl)-3-(pyridin-2-ylmethyl)urea
SYSTEMATIC NAME: 1-(3,4-dichlorophenyl)-3-(pyridin-2-ylmethyl)urea
MOLECULAR FORMULA: C13H11Cl2N3O
MOLECULAR WEIGHT: 296.15194
SMILES: C1=CC=NC(=C1)CNC(=O)NC2=CC(=C(C=C2)Cl)Cl
Structure:
CAS RN: 6392-41-2
CAS Name: 4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
OPENEYE Name: 4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
IUPAC Name: 4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
SYSTEMATIC NAME: 4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
MOLECULAR FORMULA: C16H17NO3
MOLECULAR WEIGHT: 271.31108
SMILES: COC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)OC
Structure:
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