CAS RN: 89642-49-9
CAS Name: 4-bromo-3-nitrobenzonitrile
OPENEYE Name: 4-bromo-3-nitro-benzonitrile
IUPAC Name: 4-bromo-3-nitrobenzonitrile
SYSTEMATIC NAME: 4-bromanyl-3-nitro-benzenecarbonitrile
MOLECULAR FORMULA: C7H3BrN2O2
MOLECULAR WEIGHT: 227.01492
SMILES: C1=CC(=C(C=C1C#N)[N+](=O)[O-])Br
Structure:
CAS RN: 63204-48-8
CAS Name: 5-(1-naphthalenylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one
OPENEYE Name: 5-(1-naphthylmethyl)-2-thioxo-1H-pyrimidin-4-one
IUPAC Name: 5-(naphthalen-1-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one
SYSTEMATIC NAME: 5-(naphthalen-1-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one
MOLECULAR FORMULA: C15H12N2OS
MOLECULAR WEIGHT: 268.33358
SMILES: C1=CC=C2C(=C1)C=CC=C2CC3=CNC(=S)NC3=O
Structure:
CAS RN: 37488-46-3
CAS Name: 1-phenyl-3-[1H-pyrrol-2-yl(sulfanylidene)methyl]urea
OPENEYE Name: 1-phenyl-3-(1H-pyrrole-2-carbothioyl)urea
IUPAC Name: 1-phenyl-3-(1H-pyrrole-2-carbothioyl)urea
SYSTEMATIC NAME: 1-phenyl-3-(1H-pyrrol-2-ylcarbothioyl)urea
MOLECULAR FORMULA: C12H11N3OS
MOLECULAR WEIGHT: 245.30024
SMILES: C1=CC=C(C=C1)NC(=O)NC(=S)C2=CC=CN2
Structure:
CAS RN: 26075-98-9
CAS Name: 4-[[5-ethenyl-1-(sulfothio)-1-azoniabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]-6-methoxyquinoline
OPENEYE Name: 4-[hydroxy-(1-sulfosulfanyl-5-vinyl-quinuclidin-1-ium-2-yl)methyl]-6-methoxy-quinoline
IUPAC Name: 4-[(5-ethenyl-1-sulfosulfanyl-1-azoniabicyclo[2.2.2]octan-2-yl)-hydroxymethyl]-6-methoxyquinoline
SYSTEMATIC NAME: 4-[(5-ethenyl-1-sulfosulfanyl-1-azoniabicyclo[2.2.2]octan-2-yl)-oxidanyl-methyl]-6-methoxy-quinoline
MOLECULAR FORMULA: C20H25N2O5S2+
MOLECULAR WEIGHT: 437.5529
SMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CC[N+]3(CC4C=C)SS(=O)(=O)O)O
Structure:
CAS RN: 18474-57-2
CAS Name: 4-methyl-1H-indole-2-carboxylic acid
OPENEYE Name: 4-methyl-1H-indole-2-carboxylic acid
IUPAC Name: 4-methyl-1H-indole-2-carboxylic acid
SYSTEMATIC NAME: 4-methyl-1H-indole-2-carboxylic acid
MOLECULAR FORMULA: C10H9NO2
MOLECULAR WEIGHT: 175.18396
SMILES: CC1=C2C=C(NC2=CC=C1)C(=O)O
Structure:
CAS RN: 30695-39-7
CAS Name: 3-(4-ethoxyphenyl)-5-methyl-2-sulfanylidene-1,3-diazinan-4-one
OPENEYE Name: 3-(4-ethoxyphenyl)-5-methyl-2-thioxo-hexahydropyrimidin-4-one
IUPAC Name: 3-(4-ethoxyphenyl)-5-methyl-2-sulfanylidene-1,3-diazinan-4-one
SYSTEMATIC NAME: 3-(4-ethoxyphenyl)-5-methyl-2-sulfanylidene-1,3-diazinan-4-one
MOLECULAR FORMULA: C13H16N2O2S
MOLECULAR WEIGHT: 264.34334
SMILES: CCOC1=CC=C(C=C1)N2C(=O)C(CNC2=S)C
Structure:
CAS RN: 75224-71-4
CAS Name: [(6-methyl-5-imidazo[2,1-b]thiazolyl)methylideneamino]thiourea
OPENEYE Name: [(6-methylimidazo[2,1-b]thiazol-5-yl)methyleneamino]thiourea
IUPAC Name: [(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiourea
SYSTEMATIC NAME: 1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiourea
MOLECULAR FORMULA: C8H9N5S2
MOLECULAR WEIGHT: 239.32056
SMILES: CC1=C(N2C=CSC2=N1)C=NNC(=S)N
Structure:
CAS RN: 5642-79-5
CAS Name: 4-butoxy-N-[4-(1-naphthalenyl)-2-thiazolyl]benzamide
OPENEYE Name: 4-butoxy-N-[4-(1-naphthyl)thiazol-2-yl]benzamide
IUPAC Name: 4-butoxy-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide
SYSTEMATIC NAME: 4-butoxy-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide
MOLECULAR FORMULA: C24H22N2O2S
MOLECULAR WEIGHT: 402.50868
SMILES: CCCCOC1=CC=C(C=C1)C(=O)NC2=NC(=CS2)C3=CC=CC4=CC=CC=C43
Structure:
CAS RN: 774-12-9
CAS Name: 3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propanenitrile
OPENEYE Name: 3-(2-amino-6-methyl-4-thioxo-1H-pyrimidin-5-yl)propanenitrile
IUPAC Name: 3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propanenitrile
SYSTEMATIC NAME: 3-(2-azanyl-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propanenitrile
MOLECULAR FORMULA: C8H10N4S
MOLECULAR WEIGHT: 194.2568
SMILES: CC1=C(C(=S)N=C(N1)N)CCC#N
Structure:
CAS RN: 56962-78-8
CAS Name: N-ethylcarbamic acid 2-(10-oxido-9-acridin-10-iumyl)ethyl ester
OPENEYE Name: 2-(10-oxidoacridin-10-ium-9-yl)ethyl N-ethylcarbamate
IUPAC Name: 2-(10-oxidoacridin-10-ium-9-yl)ethyl N-ethylcarbamate
SYSTEMATIC NAME: 2-(10-oxidanidylacridin-10-ium-9-yl)ethyl N-ethylcarbamate
MOLECULAR FORMULA: C18H18N2O3
MOLECULAR WEIGHT: 310.34712
SMILES: CCNC(=O)OCCC1=C2C=CC=CC2=[N+](C3=CC=CC=C31)[O-]
Structure:
CAS RN: 62715-18-8
CAS Name: 4-(3-methylbutoxy)-1-naphthalenecarbothioamide
OPENEYE Name: 4-isopentyloxynaphthalene-1-carbothioamide
IUPAC Name: 4-(3-methylbutoxy)naphthalene-1-carbothioamide
SYSTEMATIC NAME: 4-(3-methylbutoxy)naphthalene-1-carbothioamide
MOLECULAR FORMULA: C16H19NOS
MOLECULAR WEIGHT: 273.39316
SMILES: CC(C)CCOC1=CC=C(C2=CC=CC=C21)C(=S)N
Structure:
CAS RN: 21326-35-2
CAS Name: 5-(1-naphthalenylmethyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carboxaldehyde
OPENEYE Name: 5-(1-naphthylmethyl)-4-oxo-2-thioxo-1H-pyrimidine-6-carbaldehyde
IUPAC Name: 5-(naphthalen-1-ylmethyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde
SYSTEMATIC NAME: 5-(naphthalen-1-ylmethyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde
MOLECULAR FORMULA: C16H12N2O2S
MOLECULAR WEIGHT: 296.34368
SMILES: C1=CC=C2C(=C1)C=CC=C2CC3=C(NC(=S)NC3=O)C=O
Structure:
CAS RN: 72766-33-7
CAS Name: 4-[(4,6-dinitro-1H-benzimidazol-5-yl)amino]phenol
OPENEYE Name: 4-[(4,6-dinitro-1H-benzimidazol-5-yl)amino]phenol
IUPAC Name: 4-[(4,6-dinitro-1H-benzimidazol-5-yl)amino]phenol
SYSTEMATIC NAME: 4-[(4,6-dinitro-1H-benzimidazol-5-yl)amino]phenol
MOLECULAR FORMULA: C13H9N5O5
MOLECULAR WEIGHT: 315.24106
SMILES: C1=CC(=CC=C1NC2=C(C=C3C(=C2[N+](=O)[O-])N=CN3)[N+](=O)[O-])O
Structure:
CAS RN: 94007-52-0
CAS Name: 5-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-2-sulfanylidene-1H-pyrimidin-4-one
OPENEYE Name: 5-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-2-thioxo-1H-pyrimidin-4-one
IUPAC Name: 5-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-2-sulfanylidene-1H-pyrimidin-4-one
SYSTEMATIC NAME: 5-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-2-sulfanylidene-1H-pyrimidin-4-one
MOLECULAR FORMULA: C10H14N2O3S
MOLECULAR WEIGHT: 242.29476
SMILES: CC1=C(C(=O)NC(=S)N1)CCC2OCCO2
Structure:
CAS RN: 6972-08-3
CAS Name: 3-(6-oxo-2-sulfanylidene-1,3-diazinan-1-yl)propanoic acid
OPENEYE Name: 3-(6-oxo-2-thioxo-hexahydropyrimidin-1-yl)propanoic acid
IUPAC Name: 3-(6-oxo-2-sulfanylidene-1,3-diazinan-1-yl)propanoic acid
SYSTEMATIC NAME: 3-(6-oxidanylidene-2-sulfanylidene-1,3-diazinan-1-yl)propanoic acid
MOLECULAR FORMULA: C7H10N2O3S
MOLECULAR WEIGHT: 202.2309
SMILES: C1CNC(=S)N(C1=O)CCC(=O)O
Structure:
CAS RN: 18690-24-9
CAS Name: 4-(1,2,3,4-tetrahydroxybutyl)-3H-thiazole-2-thione
OPENEYE Name: 4-(1,2,3,4-tetrahydroxybutyl)-3H-thiazole-2-thione
IUPAC Name: 4-(1,2,3,4-tetrahydroxybutyl)-3H-1,3-thiazole-2-thione
SYSTEMATIC NAME: 4-[1,2,3,4-tetrakis(oxidanyl)butyl]-3H-1,3-thiazole-2-thione
MOLECULAR FORMULA: C7H11NO4S2
MOLECULAR WEIGHT: 237.29654
SMILES: C1=C(NC(=S)S1)C(C(C(CO)O)O)O
Structure:
CAS RN: 35330-54-2
CAS Name: [(1-hydroxy-2,2,6,6-tetramethyl-4-piperidinylidene)amino]thiourea
OPENEYE Name: [(1-hydroxy-2,2,6,6-tetramethyl-4-piperidylidene)amino]thiourea
IUPAC Name: [(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)amino]thiourea
SYSTEMATIC NAME: 1-[(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-ylidene)amino]thiourea
MOLECULAR FORMULA: C10H20N4OS
MOLECULAR WEIGHT: 244.357
SMILES: CC1(CC(=NNC(=S)N)CC(N1O)(C)C)C
Structure:
CAS RN: 25791-60-0
CAS Name: acetic acid [4-acetyloxy-3-[methyl(1-sulfanylideneethyl)amino]-5-(6-sulfanylidene-3H-purin-9-yl)-2-oxolanyl]methyl ester
OPENEYE Name: [4-acetoxy-3-[ethanethioyl(methyl)amino]-5-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl acetate
IUPAC Name: [4-acetyloxy-3-[ethanethioyl(methyl)amino]-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl acetate
SYSTEMATIC NAME: [4-acetyloxy-3-[ethanethioyl(methyl)amino]-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C17H21N5O5S2
MOLECULAR WEIGHT: 439.50914
SMILES: CC(=S)N(C)C1C(OC(C1OC(=O)C)N2C=NC3=C2NC=NC3=S)COC(=O)C
Structure:
CAS RN: 141814-57-5
CAS Name: (4-methyl-2-morpholinyl)methanamine
OPENEYE Name: (4-methylmorpholin-2-yl)methanamine
IUPAC Name: (4-methylmorpholin-2-yl)methanamine
SYSTEMATIC NAME: (4-methylmorpholin-2-yl)methanamine
MOLECULAR FORMULA: C6H14N2O
MOLECULAR WEIGHT: 130.18816
SMILES: CN1CCOC(C1)CN
Structure:
CAS RN: 82191-99-9
CAS Name: 9-octadecyl-3H-purine-6-thione
OPENEYE Name: 9-octadecyl-3H-purine-6-thione
IUPAC Name: 9-octadecyl-3H-purine-6-thione
SYSTEMATIC NAME: 9-octadecyl-3H-purine-6-thione
MOLECULAR FORMULA: C23H40N4S
MOLECULAR WEIGHT: 404.6555
SMILES: CCCCCCCCCCCCCCCCCCN1C=NC2=C1NC=NC2=S
Structure:
CAS RN: 1100-20-5
CAS Name: 2-(4-nitro-1-oxido-3-quinolin-1-iumyl)propanedioic acid diethyl ester
OPENEYE Name: diethyl 2-(4-nitro-1-oxido-quinolin-1-ium-3-yl)propanedioate
IUPAC Name: diethyl 2-(4-nitro-1-oxidoquinolin-1-ium-3-yl)propanedioate
SYSTEMATIC NAME: diethyl 2-(4-nitro-1-oxidanidyl-quinolin-1-ium-3-yl)propanedioate
MOLECULAR FORMULA: C16H16N2O7
MOLECULAR WEIGHT: 348.30744
SMILES: CCOC(=O)C(C1=C(C2=CC=CC=C2[N+](=C1)[O-])[N+](=O)[O-])C(=O)OCC
Structure:
CAS RN: 58045-16-2
CAS Name: N-[3-(trifluoromethyl)phenyl]carbamodithioic acid (4-chlorophenyl)methyl ester
OPENEYE Name: (4-chlorophenyl)methyl N-[3-(trifluoromethyl)phenyl]carbamodithioate
IUPAC Name: (4-chlorophenyl)methyl N-[3-(trifluoromethyl)phenyl]carbamodithioate
SYSTEMATIC NAME: (4-chlorophenyl)methyl N-[3-(trifluoromethyl)phenyl]carbamodithioate
MOLECULAR FORMULA: C15H11ClF3NS2
MOLECULAR WEIGHT: 361.83275
SMILES: C1=CC(=CC(=C1)NC(=S)SCC2=CC=C(C=C2)Cl)C(F)(F)F
Structure:
CAS RN: 73866-15-6
CAS Name: 3-(1-benzimidazolyl)-1-propanamine
OPENEYE Name: 3-(benzimidazol-1-yl)propan-1-amine
IUPAC Name: 3-(benzimidazol-1-yl)propan-1-amine
SYSTEMATIC NAME: 3-(benzimidazol-1-yl)propan-1-amine
MOLECULAR FORMULA: C10H13N3
MOLECULAR WEIGHT: 175.23032
SMILES: C1=CC=C2C(=C1)N=CN2CCCN
Structure:
CAS RN: 50553-68-9
CAS Name: 8-hydroxy-4-methyl-5-nitro-1H-quinolin-2-one
OPENEYE Name: 8-hydroxy-4-methyl-5-nitro-1H-quinolin-2-one
IUPAC Name: 8-hydroxy-4-methyl-5-nitro-1H-quinolin-2-one
SYSTEMATIC NAME: 4-methyl-5-nitro-8-oxidanyl-1H-quinolin-2-one
MOLECULAR FORMULA: C10H8N2O4
MOLECULAR WEIGHT: 220.18152
SMILES: CC1=CC(=O)NC2=C(C=CC(=C12)[N+](=O)[O-])O
Structure:
CAS RN: 58554-19-1
CAS Name: N-[[[(4-bromophenyl)-sulfanylidenemethyl]amino]-oxomethyl]-2-phenylacetamide
OPENEYE Name: N-[(4-bromobenzenecarbothioyl)carbamoyl]-2-phenyl-acetamide
IUPAC Name: N-[(4-bromobenzenecarbothioyl)carbamoyl]-2-phenylacetamide
SYSTEMATIC NAME: N-[(4-bromophenyl)carbothioylcarbamoyl]-2-phenyl-ethanamide
MOLECULAR FORMULA: C16H13BrN2O2S
MOLECULAR WEIGHT: 377.25562
SMILES: C1=CC=C(C=C1)CC(=O)NC(=O)NC(=S)C2=CC=C(C=C2)Br
Structure:
CAS RN: 77133-64-3
CAS Name: (2-pyridinylamino)thiourea
OPENEYE Name: (2-pyridylamino)thiourea
IUPAC Name: (pyridin-2-ylamino)thiourea
SYSTEMATIC NAME: 1-(pyridin-2-ylamino)thiourea
MOLECULAR FORMULA: C6H8N4S
MOLECULAR WEIGHT: 168.21952
SMILES: C1=CC=NC(=C1)NNC(=S)N
Structure:
CAS RN: 31231-68-2
CAS Name: [1-(3,4-dihydro-1H-2-benzopyran-1-yl)ethylideneamino]thiourea
OPENEYE Name: (1-isochroman-1-ylethylideneamino)thiourea
IUPAC Name: [1-(3,4-dihydro-1H-isochromen-1-yl)ethylideneamino]thiourea
SYSTEMATIC NAME: 1-[1-(3,4-dihydro-1H-isochromen-1-yl)ethylideneamino]thiourea
MOLECULAR FORMULA: C12H15N3OS
MOLECULAR WEIGHT: 249.332
SMILES: CC(=NNC(=S)N)C1C2=CC=CC=C2CCO1
Structure:
CAS RN: 7464-17-7
CAS Name: 1-(4-chlorophenyl)-3-(diaminomethylidene)thiourea
OPENEYE Name: 1-(4-chlorophenyl)-3-(diaminomethylene)thiourea
IUPAC Name: 1-(4-chlorophenyl)-3-(diaminomethylidene)thiourea
SYSTEMATIC NAME: 1-[bis(azanyl)methylidene]-3-(4-chlorophenyl)thiourea
MOLECULAR FORMULA: C8H9ClN4S
MOLECULAR WEIGHT: 228.70186
SMILES: C1=CC(=CC=C1NC(=S)N=C(N)N)Cl
Structure:
CAS RN: 13639-45-7
CAS Name: 2-tert-butyl-N-phenyl-1-aziridinecarbothioamide
OPENEYE Name: 2-tert-butyl-N-phenyl-aziridine-1-carbothioamide
IUPAC Name: 2-tert-butyl-N-phenylaziridine-1-carbothioamide
SYSTEMATIC NAME: 2-tert-butyl-N-phenyl-aziridine-1-carbothioamide
MOLECULAR FORMULA: C13H18N2S
MOLECULAR WEIGHT: 234.36042
SMILES: CC(C)(C)C1CN1C(=S)NC2=CC=CC=C2
Structure:
CAS RN: 21585-15-9
CAS Name: 5-(2-hydroxyethyl)-6-(4-methylphenyl)-2-sulfanylidene-1H-pyrimidin-4-one
OPENEYE Name: 5-(2-hydroxyethyl)-6-(p-tolyl)-2-thioxo-1H-pyrimidin-4-one
IUPAC Name: 5-(2-hydroxyethyl)-6-(4-methylphenyl)-2-sulfanylidene-1H-pyrimidin-4-one
SYSTEMATIC NAME: 5-(2-hydroxyethyl)-6-(4-methylphenyl)-2-sulfanylidene-1H-pyrimidin-4-one
MOLECULAR FORMULA: C13H14N2O2S
MOLECULAR WEIGHT: 262.32746
SMILES: CC1=CC=C(C=C1)C2=C(C(=O)NC(=S)N2)CCO
Structure:
CAS RN: 54707-67-4
CAS Name: 2-(7H-purin-6-yl)isoindole-1,3-dione
OPENEYE Name: 2-(7H-purin-6-yl)isoindoline-1,3-dione
IUPAC Name: 2-(7H-purin-6-yl)isoindole-1,3-dione
SYSTEMATIC NAME: 2-(7H-purin-6-yl)isoindole-1,3-dione
MOLECULAR FORMULA: C13H7N5O2
MOLECULAR WEIGHT: 265.22698
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)C3=NC=NC4=C3NC=N4
Structure:
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