CAS RN: 23449-17-4
CAS Name: 5-(methylthio)-6-(phenylmethylthio)-2H-1,2,4-triazin-3-one
OPENEYE Name: 6-benzylsulfanyl-5-methylsulfanyl-2H-1,2,4-triazin-3-one
IUPAC Name: 6-benzylsulfanyl-5-methylsulfanyl-2H-1,2,4-triazin-3-one
SYSTEMATIC NAME: 5-methylsulfanyl-6-(phenylmethylsulfanyl)-2H-1,2,4-triazin-3-one
MOLECULAR FORMULA: C11H11N3OS2
MOLECULAR WEIGHT: 265.35454
SMILES: CSC1=NC(=O)NN=C1SCC2=CC=CC=C2
Structure:
CAS RN: 20028-49-3
CAS Name: 6-bromo-4-(diphenylmethyl)-2-methyl-1,2,4-triazine-3,5-dione
OPENEYE Name: 4-benzhydryl-6-bromo-2-methyl-1,2,4-triazine-3,5-dione
IUPAC Name: 4-benzhydryl-6-bromo-2-methyl-1,2,4-triazine-3,5-dione
SYSTEMATIC NAME: 6-bromanyl-4-(diphenylmethyl)-2-methyl-1,2,4-triazine-3,5-dione
MOLECULAR FORMULA: C17H14BrN3O2
MOLECULAR WEIGHT: 372.21596
SMILES: CN1C(=O)N(C(=O)C(=N1)Br)C(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 30018-58-7
CAS Name: N-butyl-3,5-dioxo-2H-1,2,4-triazine-6-sulfonamide
OPENEYE Name: N-butyl-3,5-dioxo-2H-1,2,4-triazine-6-sulfonamide
IUPAC Name: N-butyl-3,5-dioxo-2H-1,2,4-triazine-6-sulfonamide
SYSTEMATIC NAME: N-butyl-3,5-bis(oxidanylidene)-2H-1,2,4-triazine-6-sulfonamide
MOLECULAR FORMULA: C7H12N4O4S
MOLECULAR WEIGHT: 248.25958
SMILES: CCCCNS(=O)(=O)C1=NNC(=O)NC1=O
Structure:
CAS RN: 91674-20-3
CAS Name: 6-(cyclohexylthio)-2H-1,2,4-triazine-3,5-dione
OPENEYE Name: 6-cyclohexylsulfanyl-2H-1,2,4-triazine-3,5-dione
IUPAC Name: 6-cyclohexylsulfanyl-2H-1,2,4-triazine-3,5-dione
SYSTEMATIC NAME: 6-cyclohexylsulfanyl-2H-1,2,4-triazine-3,5-dione
MOLECULAR FORMULA: C9H13N3O2S
MOLECULAR WEIGHT: 227.28342
SMILES: C1CCC(CC1)SC2=NNC(=O)NC2=O
Structure:
CAS RN: 88891-73-0
CAS Name: 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)thio]acetic acid
OPENEYE Name: 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetic acid
IUPAC Name: 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetic acid
SYSTEMATIC NAME: 2-[[3,5-bis(oxidanylidene)-2H-1,2,4-triazin-6-yl]sulfanyl]ethanoic acid
MOLECULAR FORMULA: C5H5N3O4S
MOLECULAR WEIGHT: 203.1759
SMILES: C(C(=O)O)SC1=NNC(=O)NC1=O
Structure:
CAS RN: 90090-56-5
CAS Name: 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)thio]acetic acid
OPENEYE Name: 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetic acid
IUPAC Name: 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetic acid
SYSTEMATIC NAME: 2-[[3,5-bis(oxidanylidene)-2H-1,2,4-triazin-6-yl]sulfanyl]ethanoic acid
MOLECULAR FORMULA: C5H5N3O4S
MOLECULAR WEIGHT: 203.1759
SMILES: C(C(=O)O)SC1=NNC(=O)NC1=O
Structure:
CAS RN: 503-11-7
CAS Name: 6-(butylthio)-2H-1,2,4-triazine-3,5-dione
OPENEYE Name: 6-butylsulfanyl-2H-1,2,4-triazine-3,5-dione
IUPAC Name: 6-butylsulfanyl-2H-1,2,4-triazine-3,5-dione
SYSTEMATIC NAME: 6-butylsulfanyl-2H-1,2,4-triazine-3,5-dione
MOLECULAR FORMULA: C7H11N3O2S
MOLECULAR WEIGHT: 201.24614
SMILES: CCCCSC1=NNC(=O)NC1=O
Structure:
CAS RN: 4986-03-2
CAS Name: 6-(dimethylamino)-2H-1,2,4-triazine-3,5-dione
OPENEYE Name: 6-(dimethylamino)-2H-1,2,4-triazine-3,5-dione
IUPAC Name: 6-(dimethylamino)-2H-1,2,4-triazine-3,5-dione
SYSTEMATIC NAME: 6-(dimethylamino)-2H-1,2,4-triazine-3,5-dione
MOLECULAR FORMULA: C5H8N4O2
MOLECULAR WEIGHT: 156.14262
SMILES: CN(C)C1=NNC(=O)NC1=O
Structure:
CAS RN: 3329-91-7
CAS Name: 2,4'-dimethyl-6'-spiro[2-azabicyclo[2.2.2]octane-5,2'-3H-pyran]one
OPENEYE Name: 2,4'-dimethylspiro[2-azabicyclo[2.2.2]octane-5,2'-3H-pyran]-6'-one
IUPAC Name: 2,4'-dimethylspiro[2-azabicyclo[2.2.2]octane-5,2'-3H-pyran]-6'-one
SYSTEMATIC NAME: 2,4'-dimethylspiro[2-azabicyclo[2.2.2]octane-5,2'-3H-pyran]-6'-one
MOLECULAR FORMULA: C13H19NO2
MOLECULAR WEIGHT: 221.29546
SMILES: CC1=CC(=O)OC2(C1)CC3CCC2CN3C
Structure:
CAS RN: 66160-92-7
CAS Name: 2-(1,3-benzodioxol-5-yl)acetaldehyde
OPENEYE Name: 2-(1,3-benzodioxol-5-yl)acetaldehyde
IUPAC Name: 2-(1,3-benzodioxol-5-yl)acetaldehyde
SYSTEMATIC NAME: 2-(1,3-benzodioxol-5-yl)ethanal
MOLECULAR FORMULA: C9H8O3
MOLECULAR WEIGHT: 164.15802
SMILES: C1OC2=C(O1)C=C(C=C2)CC=O
Structure:
CAS RN: 151928-40-4
CAS Name: 1-(2-iodoethyl)-3-(4-methylphenyl)urea
OPENEYE Name: 1-(2-iodoethyl)-3-(p-tolyl)urea
IUPAC Name: 1-(2-iodoethyl)-3-(4-methylphenyl)urea
SYSTEMATIC NAME: 1-(2-iodanylethyl)-3-(4-methylphenyl)urea
MOLECULAR FORMULA: C10H13IN2O
MOLECULAR WEIGHT: 304.12749
SMILES: CC1=CC=C(C=C1)NC(=O)NCCI
Structure:
CAS RN: 92189-62-3
CAS Name: 1-(2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
OPENEYE Name: 1-(2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
IUPAC Name: 1-(2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
SYSTEMATIC NAME: 1-(2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
MOLECULAR FORMULA: C15H13F3N2O2
MOLECULAR WEIGHT: 310.27113
SMILES: COC1=CC=CC=C1NC(=O)NC2=CC=CC(=C2)C(F)(F)F
Structure:
CAS RN: 25313-10-4
CAS Name: [2-methyl-3-phenylmethoxy-5-(phenylmethoxymethyl)-4-pyridinyl]methanol
OPENEYE Name: [3-benzyloxy-5-(benzyloxymethyl)-2-methyl-4-pyridyl]methanol
IUPAC Name: [2-methyl-3-phenylmethoxy-5-(phenylmethoxymethyl)pyridin-4-yl]methanol
SYSTEMATIC NAME: [2-methyl-3-phenylmethoxy-5-(phenylmethoxymethyl)pyridin-4-yl]methanol
MOLECULAR FORMULA: C22H23NO3
MOLECULAR WEIGHT: 349.42292
SMILES: CC1=NC=C(C(=C1OCC2=CC=CC=C2)CO)COCC3=CC=CC=C3
Structure:
CAS RN: 394-54-7
CAS Name: (4-methoxyphenyl)-(2-naphthalenyl)methanone
OPENEYE Name: (4-methoxyphenyl)-(2-naphthyl)methanone
IUPAC Name: (4-methoxyphenyl)-naphthalen-2-ylmethanone
SYSTEMATIC NAME: (4-methoxyphenyl)-naphthalen-2-yl-methanone
MOLECULAR FORMULA: C18H14O2
MOLECULAR WEIGHT: 262.30256
SMILES: COC1=CC=C(C=C1)C(=O)C2=CC3=CC=CC=C3C=C2
Structure:
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