CAS RN: 15923-58-7
CAS Name: acetic acid [4-acetyloxy-2-(diphenoxyphosphoryloxymethyl)-5-(6-sulfanylidene-3H-purin-9-yl)-3-oxolanyl] ester
OPENEYE Name: [4-acetoxy-2-(diphenoxyphosphoryloxymethyl)-5-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-3-yl] acetate
IUPAC Name: [4-acetyloxy-2-(diphenoxyphosphoryloxymethyl)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] acetate
SYSTEMATIC NAME: [4-acetyloxy-2-(diphenoxyphosphoryloxymethyl)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] ethanoate
MOLECULAR FORMULA: C26H25N4O9PS
MOLECULAR WEIGHT: 600.536861
SMILES: CC(=O)OC1C(OC(C1OC(=O)C)N2C=NC3=C2NC=NC3=S)COP(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5
Structure:
CAS RN: 35101-78-1
CAS Name: N-methyl-1,2,4-triazole-1-carbothioamide
OPENEYE Name: N-methyl-1,2,4-triazole-1-carbothioamide
IUPAC Name: N-methyl-1,2,4-triazole-1-carbothioamide
SYSTEMATIC NAME: N-methyl-1,2,4-triazole-1-carbothioamide
MOLECULAR FORMULA: C4H6N4S
MOLECULAR WEIGHT: 142.18224
SMILES: CNC(=S)N1C=NC=N1
Structure:
CAS RN: 6300-82-9
CAS Name: 1-[(5-nitro-2-pyridinyl)amino]-3-prop-2-enylthiourea
OPENEYE Name: 1-allyl-3-[(5-nitro-2-pyridyl)amino]thiourea
IUPAC Name: 1-[(5-nitropyridin-2-yl)amino]-3-prop-2-enylthiourea
SYSTEMATIC NAME: 1-[(5-nitropyridin-2-yl)amino]-3-prop-2-enyl-thiourea
MOLECULAR FORMULA: C9H11N5O2S
MOLECULAR WEIGHT: 253.28094
SMILES: C=CCNC(=S)NNC1=NC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 587-98-4
CAS Name: sodium 3-(4-anilinophenyl)azobenzenesulfonate
OPENEYE Name: sodium 3-(4-anilinophenyl)azobenzenesulfonate
IUPAC Name: sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate
SYSTEMATIC NAME: sodium 3-[(4-phenylazanylphenyl)diazenyl]benzenesulfonate
MOLECULAR FORMULA: C18H14N3NaO3S
MOLECULAR WEIGHT: 375.37683
SMILES: C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=CC(=CC=C3)S(=O)(=O)[O-].[Na+]
Structure:
CAS RN: 4005-68-9
CAS Name: sodium 3-(4-anilinophenyl)azobenzenesulfonate
OPENEYE Name: sodium 3-(4-anilinophenyl)azobenzenesulfonate
IUPAC Name: sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate
SYSTEMATIC NAME: sodium 3-[(4-phenylazanylphenyl)diazenyl]benzenesulfonate
MOLECULAR FORMULA: C18H14N3NaO3S
MOLECULAR WEIGHT: 375.37683
SMILES: C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=CC(=CC=C3)S(=O)(=O)[O-].[Na+]
Structure:
CAS RN: 53988-78-6
CAS Name: sodium 3-(4-anilinophenyl)azobenzenesulfonate
OPENEYE Name: sodium 3-(4-anilinophenyl)azobenzenesulfonate
IUPAC Name: sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate
SYSTEMATIC NAME: sodium 3-[(4-phenylazanylphenyl)diazenyl]benzenesulfonate
MOLECULAR FORMULA: C18H14N3NaO3S
MOLECULAR WEIGHT: 375.37683
SMILES: C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=CC(=CC=C3)S(=O)(=O)[O-].[Na+]
Structure:
CAS RN: 68417-63-0
CAS Name: sodium 3-(4-anilinophenyl)azobenzenesulfonate
OPENEYE Name: sodium 3-(4-anilinophenyl)azobenzenesulfonate
IUPAC Name: sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate
SYSTEMATIC NAME: sodium 3-[(4-phenylazanylphenyl)diazenyl]benzenesulfonate
MOLECULAR FORMULA: C18H14N3NaO3S
MOLECULAR WEIGHT: 375.37683
SMILES: C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=CC(=CC=C3)S(=O)(=O)[O-].[Na+]
Structure:
CAS RN: 84842-92-2
CAS Name: sodium 3-(4-anilinophenyl)azobenzenesulfonate
OPENEYE Name: sodium 3-(4-anilinophenyl)azobenzenesulfonate
IUPAC Name: sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate
SYSTEMATIC NAME: sodium 3-[(4-phenylazanylphenyl)diazenyl]benzenesulfonate
MOLECULAR FORMULA: C18H14N3NaO3S
MOLECULAR WEIGHT: 375.37683
SMILES: C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=CC(=CC=C3)S(=O)(=O)[O-].[Na+]
Structure:
CAS RN: 7597-77-5
CAS Name: 6-acetyl-2-sulfanylidene-1H-pyrimidin-4-one
OPENEYE Name: 6-acetyl-2-thioxo-1H-pyrimidin-4-one
IUPAC Name: 6-acetyl-2-sulfanylidene-1H-pyrimidin-4-one
SYSTEMATIC NAME: 6-ethanoyl-2-sulfanylidene-1H-pyrimidin-4-one
MOLECULAR FORMULA: C6H6N2O2S
MOLECULAR WEIGHT: 170.18904
SMILES: CC(=O)C1=CC(=O)NC(=S)N1
Structure:
CAS RN: 6947-21-3
CAS Name: 6-amino-3-methyl-4,5-dihydropyrimidine-2-thione
OPENEYE Name: 6-amino-3-methyl-4,5-dihydropyrimidine-2-thione
IUPAC Name: 6-amino-3-methyl-4,5-dihydropyrimidine-2-thione
SYSTEMATIC NAME: 6-azanyl-3-methyl-4,5-dihydropyrimidine-2-thione
MOLECULAR FORMULA: C5H9N3S
MOLECULAR WEIGHT: 143.21006
SMILES: CN1CCC(=NC1=S)N
Structure:
CAS RN: 76609-57-9
CAS Name: 1-[(3-methyl-4-phenyl-2-pyridinyl)methylideneamino]-3-(2-phenylethyl)thiourea
OPENEYE Name: 1-[(3-methyl-4-phenyl-2-pyridyl)methyleneamino]-3-(2-phenylethyl)thiourea
IUPAC Name: 1-[(3-methyl-4-phenylpyridin-2-yl)methylideneamino]-3-(2-phenylethyl)thiourea
SYSTEMATIC NAME: 1-[(3-methyl-4-phenyl-pyridin-2-yl)methylideneamino]-3-(2-phenylethyl)thiourea
MOLECULAR FORMULA: C22H22N4S
MOLECULAR WEIGHT: 374.50188
SMILES: CC1=C(C=CN=C1C=NNC(=S)NCCC2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 30695-45-5
CAS Name: 5-methyl-3-(1-naphthalenyl)-2-sulfanylidene-1,3-diazinan-4-one
OPENEYE Name: 5-methyl-3-(1-naphthyl)-2-thioxo-hexahydropyrimidin-4-one
IUPAC Name: 5-methyl-3-naphthalen-1-yl-2-sulfanylidene-1,3-diazinan-4-one
SYSTEMATIC NAME: 5-methyl-3-naphthalen-1-yl-2-sulfanylidene-1,3-diazinan-4-one
MOLECULAR FORMULA: C15H14N2OS
MOLECULAR WEIGHT: 270.34946
SMILES: CC1CNC(=S)N(C1=O)C2=CC=CC3=CC=CC=C32
Structure:
CAS RN: 90566-27-1
CAS Name: 6-(dimethoxymethyl)-5-ethyl-2-sulfanylidene-1H-pyrimidin-4-one
OPENEYE Name: 6-(dimethoxymethyl)-5-ethyl-2-thioxo-1H-pyrimidin-4-one
IUPAC Name: 6-(dimethoxymethyl)-5-ethyl-2-sulfanylidene-1H-pyrimidin-4-one
SYSTEMATIC NAME: 6-(dimethoxymethyl)-5-ethyl-2-sulfanylidene-1H-pyrimidin-4-one
MOLECULAR FORMULA: C9H14N2O3S
MOLECULAR WEIGHT: 230.28406
SMILES: CCC1=C(NC(=S)NC1=O)C(OC)OC
Structure:
CAS RN: 3053-39-2
CAS Name: 1,3-diphenyl-1-(phenylmethyl)thiourea
OPENEYE Name: 1-benzyl-1,3-diphenyl-thiourea
IUPAC Name: 1-benzyl-1,3-diphenylthiourea
SYSTEMATIC NAME: 1,3-diphenyl-1-(phenylmethyl)thiourea
MOLECULAR FORMULA: C20H18N2S
MOLECULAR WEIGHT: 318.43532
SMILES: C1=CC=C(C=C1)CN(C2=CC=CC=C2)C(=S)NC3=CC=CC=C3
Structure:
CAS RN: 66799-55-1
CAS Name: 1-diethoxyphosphinothioyl-3-[2-[[(diethoxyphosphinothioylamino)-sulfanylidenemethyl]amino]phenyl]thiourea
OPENEYE Name: 1-diethoxyphosphinothioyl-3-[2-(diethoxyphosphinothioylcarbamothioylamino)phenyl]thiourea
IUPAC Name: 1-diethoxyphosphinothioyl-3-[2-(diethoxyphosphinothioylcarbamothioylamino)phenyl]thiourea
SYSTEMATIC NAME: 1-diethoxyphosphinothioyl-3-[2-(diethoxyphosphinothioylcarbamothioylamino)phenyl]thiourea
MOLECULAR FORMULA: C16H28N4O4P2S4
MOLECULAR WEIGHT: 530.625442
SMILES: CCOP(=S)(NC(=S)NC1=CC=CC=C1NC(=S)NP(=S)(OCC)OCC)OCC
Structure:
CAS RN: 91130-15-3
CAS Name: 5-(6-sulfanylidene-3H-purin-9-yl)pentanenitrile
OPENEYE Name: 5-(6-thioxo-3H-purin-9-yl)pentanenitrile
IUPAC Name: 5-(6-sulfanylidene-3H-purin-9-yl)pentanenitrile
SYSTEMATIC NAME: 5-(6-sulfanylidene-3H-purin-9-yl)pentanenitrile
MOLECULAR FORMULA: C10H11N5S
MOLECULAR WEIGHT: 233.29284
SMILES: C1=NC(=S)C2=C(N1)N(C=N2)CCCCC#N
Structure:
CAS RN: 22276-96-6
CAS Name: 5-bromo-1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione
OPENEYE Name: 5-bromo-1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione
IUPAC Name: 5-bromo-1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione
SYSTEMATIC NAME: 5-bromanyl-1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione
MOLECULAR FORMULA: C6H4BrN3S
MOLECULAR WEIGHT: 230.08506
SMILES: C1=C(C2=C(N1)NC=NC2=S)Br
Structure:
CAS RN: 38847-04-0
CAS Name: 1-hydroxy-2,4-dinitroanthracene-9,10-dione
OPENEYE Name: 1-hydroxy-2,4-dinitro-anthracene-9,10-dione
IUPAC Name: 1-hydroxy-2,4-dinitroanthracene-9,10-dione
SYSTEMATIC NAME: 2,4-dinitro-1-oxidanyl-anthracene-9,10-dione
MOLECULAR FORMULA: C14H6N2O7
MOLECULAR WEIGHT: 314.20664
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3[N+](=O)[O-])[N+](=O)[O-])O
Structure:
CAS RN: 6327-23-7
CAS Name: 2-amino-6-(3,4-dimethylanilino)-5-ethyl-1H-pyrimidine-4-thione
OPENEYE Name: 2-amino-6-(3,4-dimethylanilino)-5-ethyl-1H-pyrimidine-4-thione
IUPAC Name: 2-amino-6-(3,4-dimethylanilino)-5-ethyl-1H-pyrimidine-4-thione
SYSTEMATIC NAME: 2-azanyl-6-[(3,4-dimethylphenyl)amino]-5-ethyl-1H-pyrimidine-4-thione
MOLECULAR FORMULA: C14H18N4S
MOLECULAR WEIGHT: 274.38452
SMILES: CCC1=C(NC(=NC1=S)N)NC2=CC(=C(C=C2)C)C
Structure:
CAS RN: 58326-36-6
CAS Name: N-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-sulfanylidenemethyl]carbamic acid methyl ester
OPENEYE Name: methyl N-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamothioyl]carbamate
IUPAC Name: methyl N-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamothioyl]carbamate
SYSTEMATIC NAME: methyl N-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamothioyl]carbamate
MOLECULAR FORMULA: C7H10N4O2S2
MOLECULAR WEIGHT: 246.3099
SMILES: CCC1=NN=C(S1)NC(=S)NC(=O)OC
Structure:
CAS RN: 58326-35-5
CAS Name: N-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-sulfanylidenemethyl]carbamic acid methyl ester
OPENEYE Name: methyl N-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamothioyl]carbamate
IUPAC Name: methyl N-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamothioyl]carbamate
SYSTEMATIC NAME: methyl N-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamothioyl]carbamate
MOLECULAR FORMULA: C6H8N4O2S2
MOLECULAR WEIGHT: 232.28332
SMILES: CC1=NN=C(S1)NC(=S)NC(=O)OC
Structure:
CAS RN: 34867-45-3
CAS Name: N-[sulfanylidene-(1,3,4-thiadiazol-2-ylamino)methyl]carbamic acid methyl ester
OPENEYE Name: methyl N-(1,3,4-thiadiazol-2-ylcarbamothioyl)carbamate
IUPAC Name: methyl N-(1,3,4-thiadiazol-2-ylcarbamothioyl)carbamate
SYSTEMATIC NAME: methyl N-(1,3,4-thiadiazol-2-ylcarbamothioyl)carbamate
MOLECULAR FORMULA: C5H6N4O2S2
MOLECULAR WEIGHT: 218.25674
SMILES: COC(=O)NC(=S)NC1=NN=CS1
Structure:
CAS RN: 63412-38-4
CAS Name: 3-(4-chlorophenyl)-5,6-dimethyl-4-sulfanylidene-5,6-dihydro-1H-furo[2,3-d]pyrimidin-2-one
OPENEYE Name: 3-(4-chlorophenyl)-5,6-dimethyl-4-thioxo-5,6-dihydro-1H-furo[2,3-d]pyrimidin-2-one
IUPAC Name: 3-(4-chlorophenyl)-5,6-dimethyl-4-sulfanylidene-5,6-dihydro-1H-furo[2,3-d]pyrimidin-2-one
SYSTEMATIC NAME: 3-(4-chlorophenyl)-5,6-dimethyl-4-sulfanylidene-5,6-dihydro-1H-furo[2,3-d]pyrimidin-2-one
MOLECULAR FORMULA: C14H13ClN2O2S
MOLECULAR WEIGHT: 308.78322
SMILES: CC1C(OC2=C1C(=S)N(C(=O)N2)C3=CC=C(C=C3)Cl)C
Structure:
CAS RN: 56236-75-0
CAS Name: 4-(tert-butylsulfamoyl)benzenecarbothioamide
OPENEYE Name: 4-(tert-butylsulfamoyl)benzenecarbothioamide
IUPAC Name: 4-(tert-butylsulfamoyl)benzenecarbothioamide
SYSTEMATIC NAME: 4-(tert-butylsulfamoyl)benzenecarbothioamide
MOLECULAR FORMULA: C11H16N2O2S2
MOLECULAR WEIGHT: 272.38694
SMILES: CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)C(=S)N
Structure:
CAS RN: 61720-64-7
CAS Name: 1-methylsulfonyl-3-[1-naphthalenyl(sulfanylidene)methyl]urea
OPENEYE Name: 1-methylsulfonyl-3-(naphthalene-1-carbothioyl)urea
IUPAC Name: 1-methylsulfonyl-3-(naphthalene-1-carbothioyl)urea
SYSTEMATIC NAME: 1-methylsulfonyl-3-naphthalen-1-ylcarbothioyl-urea
MOLECULAR FORMULA: C13H12N2O3S2
MOLECULAR WEIGHT: 308.37598
SMILES: CS(=O)(=O)NC(=O)NC(=S)C1=CC=CC2=CC=CC=C21
Structure:
CAS RN: 53268-33-0
CAS Name: 6-amino-3-pyridinecarbothioamide
OPENEYE Name: 6-aminopyridine-3-carbothioamide
IUPAC Name: 6-aminopyridine-3-carbothioamide
SYSTEMATIC NAME: 6-azanylpyridine-3-carbothioamide
MOLECULAR FORMULA: C6H7N3S
MOLECULAR WEIGHT: 153.20488
SMILES: C1=CC(=NC=C1C(=S)N)N
Structure:
CAS RN: 1869-08-5
CAS Name: 7H-purine-2-sulfonyl fluoride
OPENEYE Name: 7H-purine-2-sulfonyl fluoride
IUPAC Name: 7H-purine-2-sulfonyl fluoride
SYSTEMATIC NAME: 7H-purine-2-sulfonyl fluoride
MOLECULAR FORMULA: C5H3FN4O2S
MOLECULAR WEIGHT: 202.166323
SMILES: C1=C2C(=NC(=N1)S(=O)(=O)F)N=CN2
Structure:
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