CAS RN: 5850-61-3
CAS Name: 5-(2-naphthalenyl)-N-phenyl-2-thiazolamine
OPENEYE Name: 5-(2-naphthyl)-N-phenyl-thiazol-2-amine
IUPAC Name: 5-naphthalen-2-yl-N-phenyl-1,3-thiazol-2-amine
SYSTEMATIC NAME: 5-naphthalen-2-yl-N-phenyl-1,3-thiazol-2-amine
MOLECULAR FORMULA: C19H14N2S
MOLECULAR WEIGHT: 302.39286
SMILES: C1=CC=C(C=C1)NC2=NC=C(S2)C3=CC4=CC=CC=C4C=C3
Structure:
CAS RN: 96885-24-4
CAS Name: 6-(4-ethoxyphenyl)-7-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
OPENEYE Name: 6-(4-ethoxyphenyl)-7-(4-methoxyphenyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione
IUPAC Name: 6-(4-ethoxyphenyl)-7-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
SYSTEMATIC NAME: 6-(4-ethoxyphenyl)-7-(4-methoxyphenyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione
MOLECULAR FORMULA: C24H23N5O4
MOLECULAR WEIGHT: 445.47052
SMILES: CCOC1=CC=C(C=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)C)C5=CC=C(C=C5)OC
Structure:
CAS RN: 653-05-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H6N4
MOLECULAR WEIGHT: 182.18144
SMILES: C1=CC2=C(C3=C(C=CC=N3)N=N2)N=C1
Structure:
CAS RN: 667413-63-0
CAS Name: 4-ethyl-3-[1-(4-propan-2-ylphenoxy)ethyl]-1H-1,2,4-triazole-5-thione
OPENEYE Name: 4-ethyl-3-[1-(4-isopropylphenoxy)ethyl]-1H-1,2,4-triazole-5-thione
IUPAC Name: 4-ethyl-3-[1-(4-propan-2-ylphenoxy)ethyl]-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-ethyl-3-[1-(4-propan-2-ylphenoxy)ethyl]-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C15H21N3OS
MOLECULAR WEIGHT: 291.41174
SMILES: CCN1C(=NNC1=S)C(C)OC2=CC=C(C=C2)C(C)C
Structure:
CAS RN: 90434-80-3
CAS Name: 6-(dimethoxymethyl)-5-methyl-2-sulfanylidene-1H-pyrimidin-4-one
OPENEYE Name: 6-(dimethoxymethyl)-5-methyl-2-thioxo-1H-pyrimidin-4-one
IUPAC Name: 6-(dimethoxymethyl)-5-methyl-2-sulfanylidene-1H-pyrimidin-4-one
SYSTEMATIC NAME: 6-(dimethoxymethyl)-5-methyl-2-sulfanylidene-1H-pyrimidin-4-one
MOLECULAR FORMULA: C8H12N2O3S
MOLECULAR WEIGHT: 216.25748
SMILES: CC1=C(NC(=S)NC1=O)C(OC)OC
Structure:
CAS RN: 34722-90-2
CAS Name: sodium 2-[(3-bromo-4-hydroxy-2-methyl-5-propan-2-ylphenyl)-(3-bromo-2-methyl-4-oxo-5-propan-2-yl-1-cyclohexa-2,5-dienylidene)methyl]benzenesulfonate
OPENEYE Name: sodium 2-[(3-bromo-4-hydroxy-5-isopropyl-2-methyl-phenyl)-(3-bromo-5-isopropyl-2-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate
IUPAC Name: sodium 2-[(3-bromo-4-hydroxy-2-methyl-5-propan-2-ylphenyl)-(3-bromo-2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate
SYSTEMATIC NAME: sodium 2-[(3-bromanyl-2-methyl-4-oxidanylidene-5-propan-2-yl-cyclohexa-2,5-dien-1-ylidene)-(3-bromanyl-2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)methyl]benzenesulfonate
MOLECULAR FORMULA: C27H27Br2NaO5S
MOLECULAR WEIGHT: 646.36305
SMILES: CC1=C(C(=C(C=C1C(=C2C=C(C(=O)C(=C2C)Br)C(C)C)C3=CC=CC=C3S(=O)(=O)[O-])C(C)C)O)Br.[Na+]
Structure:
CAS RN: 67390-24-3
CAS Name: 3-methyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-4-one
OPENEYE Name: 3-methyl-2-thioxo-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-4-one
IUPAC Name: 3-methyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 3-methyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C8H11N3OS
MOLECULAR WEIGHT: 197.25744
SMILES: CN1C(=O)C2=C(NCCC2)NC1=S
Structure:
CAS RN: 78772-40-4
CAS Name: 1-[[2-(1H-benzimidazol-2-yl)-1-oxoethyl]amino]-3-cyclohexylthiourea
OPENEYE Name: 1-[[2-(1H-benzimidazol-2-yl)acetyl]amino]-3-cyclohexyl-thiourea
IUPAC Name: 1-[[2-(1H-benzimidazol-2-yl)acetyl]amino]-3-cyclohexylthiourea
SYSTEMATIC NAME: 1-[2-(1H-benzimidazol-2-yl)ethanoylamino]-3-cyclohexyl-thiourea
MOLECULAR FORMULA: C16H21N5OS
MOLECULAR WEIGHT: 331.43584
SMILES: C1CCC(CC1)NC(=S)NNC(=O)CC2=NC3=CC=CC=C3N2
Structure:
CAS RN: 2637-31-2
CAS Name: 3-(3,4-dihydro-2H-quinolin-1-yl)-1-propanamine
OPENEYE Name: 3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-amine
IUPAC Name: 3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-amine
SYSTEMATIC NAME: 3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-amine
MOLECULAR FORMULA: C12H18N2
MOLECULAR WEIGHT: 190.28472
SMILES: C1CC2=CC=CC=C2N(C1)CCCN
Structure:
CAS RN: 40972-86-9
CAS Name: (2,3-dimethoxyphenyl)boronic acid
OPENEYE Name: (2,3-dimethoxyphenyl)boronic acid
IUPAC Name: (2,3-dimethoxyphenyl)boronic acid
SYSTEMATIC NAME: (2,3-dimethoxyphenyl)boronic acid
MOLECULAR FORMULA: C8H11BO4
MOLECULAR WEIGHT: 181.98154
SMILES: B(C1=C(C(=CC=C1)OC)OC)(O)O
Structure:
CAS RN: 55559-54-1
CAS Name: 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3-pyrazolo[3,4-d]pyrimidinecarbothioamide
OPENEYE Name: 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrazolo[3,4-d]pyrimidine-3-carbothioamide
IUPAC Name: 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carbothioamide
SYSTEMATIC NAME: 4-azanyl-1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carbothioamide
MOLECULAR FORMULA: C11H14N6O4S
MOLECULAR WEIGHT: 326.33166
SMILES: C1=NC2=C(C(=NN2C3C(C(C(O3)CO)O)O)C(=S)N)C(=N1)N
Structure:
CAS RN: 54529-73-6
CAS Name: 1-diphenoxyphosphoryl-3-(4-morpholinyl)thiourea
OPENEYE Name: 1-diphenoxyphosphoryl-3-morpholino-thiourea
IUPAC Name: 1-diphenoxyphosphoryl-3-morpholin-4-ylthiourea
SYSTEMATIC NAME: 1-diphenoxyphosphoryl-3-morpholin-4-yl-thiourea
MOLECULAR FORMULA: C17H20N3O4PS
MOLECULAR WEIGHT: 393.397161
SMILES: C1COCCN1NC(=S)NP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3
Structure:
CAS RN: 942-26-7
CAS Name: 2-(5-chloro-1H-indol-3-yl)ethylammonium
OPENEYE Name: 2-(5-chloro-1H-indol-3-yl)ethylammonium
IUPAC Name: 2-(5-chloro-1H-indol-3-yl)ethylazanium
SYSTEMATIC NAME: 2-(5-chloranyl-1H-indol-3-yl)ethylazanium
MOLECULAR FORMULA: C10H12ClN2+
MOLECULAR WEIGHT: 195.66868
SMILES: C1=CC2=C(C=C1Cl)C(=CN2)CC[NH3+]
Structure:
CAS RN: 667414-14-4
CAS Name: 3-[1-(3-chlorophenoxy)ethyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 4-allyl-3-[1-(3-chlorophenoxy)ethyl]-1H-1,2,4-triazole-5-thione
IUPAC Name: 3-[1-(3-chlorophenoxy)ethyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-[1-(3-chloranylphenoxy)ethyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C13H14ClN3OS
MOLECULAR WEIGHT: 295.78776
SMILES: CC(C1=NNC(=S)N1CC=C)OC2=CC(=CC=C2)Cl
Structure:
CAS RN: 12122-67-7
CAS Name: [2-(dithiocarboxyamino)ethylamino]-sulfoniumylidenemethanethiolate; zinc
OPENEYE Name: [2-(dithiocarboxyamino)ethylamino]-sulfoniumylidene-methanethiolate; zinc
IUPAC Name: [2-(dithiocarboxyamino)ethylamino]-sulfoniumylidenemethanethiolate; zinc
SYSTEMATIC NAME: [2-(dithiocarboxyamino)ethylamino]-sulfaniumylidene-methanethiolate; zinc
MOLECULAR FORMULA: C4H8N2S4Zn
MOLECULAR WEIGHT: 277.78872
SMILES: C(CNC(=[SH+])[S-])NC(=S)S.[Zn]
Structure:
CAS RN: 332383-09-2
CAS Name: 2-[[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thio]acetate
OPENEYE Name: 2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]sulfanylacetate
IUPAC Name: 2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylacetate
SYSTEMATIC NAME: 2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate
MOLECULAR FORMULA: C12H11N2O3S2-
MOLECULAR WEIGHT: 295.35734
SMILES: CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSCC(=O)[O-]
Structure:
CAS RN: 545385-13-5
CAS Name: 3-chloro-N-(4-chloro-2-fluorophenyl)propanamide
OPENEYE Name: 3-chloro-N-(4-chloro-2-fluoro-phenyl)propanamide
IUPAC Name: 3-chloro-N-(4-chloro-2-fluorophenyl)propanamide
SYSTEMATIC NAME: 3-chloranyl-N-(4-chloranyl-2-fluoranyl-phenyl)propanamide
MOLECULAR FORMULA: C9H8Cl2FNO
MOLECULAR WEIGHT: 236.070323
SMILES: C1=CC(=C(C=C1Cl)F)NC(=O)CCCl
Structure:
CAS RN: 6345-09-1
CAS Name: 2-[4-(2-azido-1-oxoethyl)phenoxy]acetic acid methyl ester
OPENEYE Name: methyl 2-[4-(2-azidoacetyl)phenoxy]acetate
IUPAC Name: methyl 2-[4-(2-azidoacetyl)phenoxy]acetate
SYSTEMATIC NAME: methyl 2-[4-(2-azidoethanoyl)phenoxy]ethanoate
MOLECULAR FORMULA: C11H11N3O4
MOLECULAR WEIGHT: 249.22274
SMILES: COC(=O)COC1=CC=C(C=C1)C(=O)CN=[N+]=[N-]
Structure:
CAS RN: 53870-99-8
CAS Name: 7-methoxy-4-methyl-10,11-dihydroisoxazolo[5,4-i]phenanthridine
OPENEYE Name: 7-methoxy-4-methyl-10,11-dihydroisoxazolo[5,4-i]phenanthridine
IUPAC Name: 7-methoxy-4-methyl-10,11-dihydro-[1,2]oxazolo[5,4-i]phenanthridine
SYSTEMATIC NAME: 7-methoxy-4-methyl-10,11-dihydro-[1,2]oxazolo[5,4-i]phenanthridine
MOLECULAR FORMULA: C16H14N2O2
MOLECULAR WEIGHT: 266.29456
SMILES: CC1=C2C(=C3C=CC(=CC3=N1)OC)CCC4=C2ON=C4
Structure:
CAS RN: 26028-74-0
CAS Name: 3-(3-hydroxyphenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 4-allyl-3-(3-hydroxyphenyl)-1H-1,2,4-triazole-5-thione
IUPAC Name: 3-(3-hydroxyphenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-(3-hydroxyphenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C11H11N3OS
MOLECULAR WEIGHT: 233.28954
SMILES: C=CCN1C(=NNC1=S)C2=CC(=CC=C2)O
Structure:
CAS RN: 30682-70-3
CAS Name: 1-methyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-dithione
OPENEYE Name: 1-methyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-dithione
IUPAC Name: 1-methyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-dithione
SYSTEMATIC NAME: 1-methyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-dithione
MOLECULAR FORMULA: C6H6N4S2
MOLECULAR WEIGHT: 198.26864
SMILES: CN1C2=NC(=S)NC(=S)C2=CN1
Structure:
CAS RN: 5472-56-0
CAS Name: 1-(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-3-prop-2-enylthiourea
OPENEYE Name: 1-allyl-3-(4-amino-1,3-dimethyl-2,6-dioxo-pyrimidin-5-yl)thiourea
IUPAC Name: 1-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-prop-2-enylthiourea
SYSTEMATIC NAME: 1-[4-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]-3-prop-2-enyl-thiourea
MOLECULAR FORMULA: C10H15N5O2S
MOLECULAR WEIGHT: 269.3234
SMILES: CN1C(=C(C(=O)N(C1=O)C)NC(=S)NCC=C)N
Structure:
CAS RN: 5875-41-2
CAS Name: 2-amino-5-(1-carboxyethylamino)-5-oxopentanoic acid
OPENEYE Name: 2-amino-5-(1-carboxyethylamino)-5-oxo-pentanoic acid
IUPAC Name: 2-amino-5-(1-carboxyethylamino)-5-oxopentanoic acid
SYSTEMATIC NAME: 2-azanyl-5-oxidanylidene-5-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]pentanoic acid
MOLECULAR FORMULA: C8H14N2O5
MOLECULAR WEIGHT: 218.20716
SMILES: CC(C(=O)O)NC(=O)CCC(C(=O)O)N
Structure:
CAS RN: 5345-53-9
CAS Name: N-(4-acetamido-3-nitrophenyl)acetamide
OPENEYE Name: N-(4-acetamido-3-nitro-phenyl)acetamide
IUPAC Name: N-(4-acetamido-3-nitrophenyl)acetamide
SYSTEMATIC NAME: N-(4-acetamido-3-nitro-phenyl)ethanamide
MOLECULAR FORMULA: C10H11N3O4
MOLECULAR WEIGHT: 237.21204
SMILES: CC(=O)NC1=CC(=C(C=C1)NC(=O)C)[N+](=O)[O-]
Structure:
CAS RN: 10172-36-8
CAS Name: 1,2-dibromo-5-methoxy-3-nitrobenzene
OPENEYE Name: 1,2-dibromo-5-methoxy-3-nitro-benzene
IUPAC Name: 1,2-dibromo-5-methoxy-3-nitrobenzene
SYSTEMATIC NAME: 1,2-bis(bromanyl)-5-methoxy-3-nitro-benzene
MOLECULAR FORMULA: C7H5Br2NO3
MOLECULAR WEIGHT: 310.9275
SMILES: COC1=CC(=C(C(=C1)[N+](=O)[O-])Br)Br
Structure:
CAS RN: 88511-81-3
CAS Name: 6-oxo-3,7-dihydropurine-2-sulfonamide
OPENEYE Name: 6-oxo-3,7-dihydropurine-2-sulfonamide
IUPAC Name: 6-oxo-3,7-dihydropurine-2-sulfonamide
SYSTEMATIC NAME: 6-oxidanylidene-3,7-dihydropurine-2-sulfonamide
MOLECULAR FORMULA: C5H5N5O3S
MOLECULAR WEIGHT: 215.1899
SMILES: C1=NC2=C(N1)C(=O)N=C(N2)S(=O)(=O)N
Structure:
CAS RN: 5324-34-5
CAS Name: N-(2-hydroxyphenyl)-3-pyridinecarboxamide
OPENEYE Name: N-(2-hydroxyphenyl)pyridine-3-carboxamide
IUPAC Name: N-(2-hydroxyphenyl)pyridine-3-carboxamide
SYSTEMATIC NAME: N-(2-hydroxyphenyl)pyridine-3-carboxamide
MOLECULAR FORMULA: C12H10N2O2
MOLECULAR WEIGHT: 214.22
SMILES: C1=CC=C(C(=C1)NC(=O)C2=CN=CC=C2)O
Structure:
CAS RN: 355386-94-6
CAS Name: 5-quinolinylboronic acid
OPENEYE Name: 5-quinolylboronic acid
IUPAC Name: quinolin-5-ylboronic acid
SYSTEMATIC NAME: quinolin-5-ylboronic acid
MOLECULAR FORMULA: C9H8BNO2
MOLECULAR WEIGHT: 172.97632
SMILES: B(C1=C2C=CC=NC2=CC=C1)(O)O
Structure:
CAS RN: 350017-04-8
CAS Name: 2-[(4-fluorophenyl)methyl]pyrrolidine
OPENEYE Name: 2-[(4-fluorophenyl)methyl]pyrrolidine
IUPAC Name: 2-[(4-fluorophenyl)methyl]pyrrolidine
SYSTEMATIC NAME: 2-[(4-fluorophenyl)methyl]pyrrolidine
MOLECULAR FORMULA: C11H14FN
MOLECULAR WEIGHT: 179.233963
SMILES: C1CC(NC1)CC2=CC=C(C=C2)F
Structure:
CAS RN: 4002-21-5
CAS Name: N'-acetyl-2-chloroacetohydrazide
OPENEYE Name: N'-acetyl-2-chloro-acetohydrazide
IUPAC Name: N'-acetyl-2-chloroacetohydrazide
SYSTEMATIC NAME: 2-chloranyl-N'-ethanoyl-ethanehydrazide
MOLECULAR FORMULA: C4H7ClN2O2
MOLECULAR WEIGHT: 150.56358
SMILES: CC(=O)NNC(=O)CCl
Structure:
CAS RN: 20458-99-5
CAS Name: 1,3-diethyl-2-isocyanatobenzene
OPENEYE Name: 1,3-diethyl-2-isocyanato-benzene
IUPAC Name: 1,3-diethyl-2-isocyanatobenzene
SYSTEMATIC NAME: 1,3-diethyl-2-isocyanato-benzene
MOLECULAR FORMULA: C11H13NO
MOLECULAR WEIGHT: 175.22702
SMILES: CCC1=C(C(=CC=C1)CC)N=C=O
Structure:
CAS RN: 69830-31-5
CAS Name: 6-(4-phenylbuta-1,3-dienyl)-3-sulfanylidene-2H-1,2,4-triazin-5-one
OPENEYE Name: 6-(4-phenylbuta-1,3-dienyl)-3-thioxo-2H-1,2,4-triazin-5-one
IUPAC Name: 6-(4-phenylbuta-1,3-dienyl)-3-sulfanylidene-2H-1,2,4-triazin-5-one
SYSTEMATIC NAME: 6-(4-phenylbuta-1,3-dienyl)-3-sulfanylidene-2H-1,2,4-triazin-5-one
MOLECULAR FORMULA: C13H11N3OS
MOLECULAR WEIGHT: 257.31094
SMILES: C1=CC=C(C=C1)C=CC=CC2=NNC(=S)NC2=O
Structure:
CAS RN: 3396-11-0
CAS Name: cesium acetate
OPENEYE Name: cesium acetate
IUPAC Name: cesium acetate
SYSTEMATIC NAME: cesium ethanoate
MOLECULAR FORMULA: C2H3CsO2
MOLECULAR WEIGHT: 191.94947
SMILES: CC(=O)[O-].[Cs+]
Structure:
CAS RN: 71720-27-9
CAS Name: 1,2-dimethoxy-3-propan-2-ylbenzene
OPENEYE Name: 1-isopropyl-2,3-dimethoxy-benzene
IUPAC Name: 1,2-dimethoxy-3-propan-2-ylbenzene
SYSTEMATIC NAME: 1,2-dimethoxy-3-propan-2-yl-benzene
MOLECULAR FORMULA: C11H16O2
MOLECULAR WEIGHT: 180.24354
SMILES: CC(C)C1=C(C(=CC=C1)OC)OC
Structure:
CAS RN: 15936-10-4
CAS Name: 2-chloro-1,8-naphthyridine
OPENEYE Name: 2-chloro-1,8-naphthyridine
IUPAC Name: 2-chloro-1,8-naphthyridine
SYSTEMATIC NAME: 2-chloranyl-1,8-naphthyridine
MOLECULAR FORMULA: C8H5ClN2
MOLECULAR WEIGHT: 164.5917
SMILES: C1=CC2=C(N=C1)N=C(C=C2)Cl
Structure:
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