Thursday, March 29, 2012

http://ChemLookup.com Compounds




CAS RN: 76881-13-5
CAS Name: (3Z)-3-(trimethylsilyloxymethylidene)-2-oxolanone
OPENEYE Name: (3Z)-3-(trimethylsilyloxymethylene)tetrahydrofuran-2-one
IUPAC Name: (3Z)-3-(trimethylsilyloxymethylidene)oxolan-2-one
SYSTEMATIC NAME: (3Z)-3-(trimethylsilyloxymethylidene)oxolan-2-one
MOLECULAR FORMULA: C8H14O3Si
MOLECULAR WEIGHT: 186.28046
SMILES: C[Si](C)(C)O/C=C\1/CCOC1=O
Structure:

CAS RN: 53400-67-2
CAS Name: 3-methyl-5,6,7,8-tetrahydroquinoline-8-carbothioamide
OPENEYE Name: 3-methyl-5,6,7,8-tetrahydroquinoline-8-carbothioamide
IUPAC Name: 3-methyl-5,6,7,8-tetrahydroquinoline-8-carbothioamide
SYSTEMATIC NAME: 3-methyl-5,6,7,8-tetrahydroquinoline-8-carbothioamide
MOLECULAR FORMULA: C11H14N2S
MOLECULAR WEIGHT: 206.30726
SMILES: CC1=CN=C2C(CCCC2=C1)C(=S)N
Structure:

CAS RN: 62249-51-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H12N4O
MOLECULAR WEIGHT: 276.29268
SMILES: C/1CC2(C3C=CC(C2(CC/C(=C1/C#N)/C#N)C#N)O3)C#N
Structure:

CAS RN: 64247-77-4
CAS Name: (2E)-2-[(5E)-5-(1-cyano-2-imino-2-phenylethylidene)-1,2,4-trithiolan-3-ylidene]-3-imino-3-phenylpropanenitrile
OPENEYE Name: (2E)-2-[(5E)-5-(1-cyano-2-imino-2-phenyl-ethylidene)-1,2,4-trithiolan-3-ylidene]-3-imino-3-phenyl-propanenitrile
IUPAC Name: (2E)-2-[(5E)-5-(1-cyano-2-imino-2-phenylethylidene)-1,2,4-trithiolan-3-ylidene]-3-imino-3-phenylpropanenitrile
SYSTEMATIC NAME: (2E)-3-azanylidene-2-[(5E)-5-(2-azanylidene-1-cyano-2-phenyl-ethylidene)-1,2,4-trithiolan-3-ylidene]-3-phenyl-propanenitrile
MOLECULAR FORMULA: C20H12N4S3
MOLECULAR WEIGHT: 404.53108
SMILES: C1=CC=C(C=C1)C(=N)/C(=C/2\SS/C(=C(\C(=N)C3=CC=CC=C3)/C#N)/S2)/C#N
Structure:

CAS RN: 18521-94-3
CAS Name: 4-spiro[1,5,6,7-tetrahydrocyclopenta[d][1,3]thiazine-2,1'-cyclopentane]thione
OPENEYE Name: spiro[1,5,6,7-tetrahydrocyclopenta[d][1,3]thiazine-2,1'-cyclopentane]-4-thione
IUPAC Name: spiro[1,5,6,7-tetrahydrocyclopenta[d][1,3]thiazine-2,1'-cyclopentane]-4-thione
SYSTEMATIC NAME: spiro[1,5,6,7-tetrahydrocyclopenta[d][1,3]thiazine-2,1'-cyclopentane]-4-thione
MOLECULAR FORMULA: C11H15NS2
MOLECULAR WEIGHT: 225.3735
SMILES: C1CCC2(C1)NC3=C(CCC3)C(=S)S2
Structure:

CAS RN: 64247-57-0
CAS Name: 1,8-dihydropyrido[4,3-d][1,3]thiazine-2,4,5,7-tetrathione
OPENEYE Name: 1,8-dihydropyrido[4,3-d][1,3]thiazine-2,4,5,7-tetrathione
IUPAC Name: 1,8-dihydropyrido[4,3-d][1,3]thiazine-2,4,5,7-tetrathione
SYSTEMATIC NAME: 1,8-dihydropyrido[4,3-d][1,3]thiazine-2,4,5,7-tetrathione
MOLECULAR FORMULA: C7H4N2S5
MOLECULAR WEIGHT: 276.44506
SMILES: C1C2=C(C(=S)NC1=S)C(=S)SC(=S)N2
Structure:

CAS RN: 68925-81-5
CAS Name: 6,8-dimethyl-2H-[1,2,4]triazolo[3,4-b][1,3]benzothiazole-1-thione
OPENEYE Name: 6,8-dimethyl-2H-[1,2,4]triazolo[3,4-b][1,3]benzothiazole-1-thione
IUPAC Name: 6,8-dimethyl-2H-[1,2,4]triazolo[3,4-b][1,3]benzothiazole-1-thione
SYSTEMATIC NAME: 6,8-dimethyl-2H-[1,2,4]triazolo[3,4-b][1,3]benzothiazole-1-thione
MOLECULAR FORMULA: C10H9N3S2
MOLECULAR WEIGHT: 235.32856
SMILES: CC1=CC(=C2C(=C1)SC3=NNC(=S)N23)C
Structure:

CAS RN: 42438-69-7
CAS Name: 6-methyl-2H-[1,2,4]triazolo[3,4-b][1,3]benzothiazole-1-thione
OPENEYE Name: 6-methyl-2H-[1,2,4]triazolo[3,4-b][1,3]benzothiazole-1-thione
IUPAC Name: 6-methyl-2H-[1,2,4]triazolo[3,4-b][1,3]benzothiazole-1-thione
SYSTEMATIC NAME: 6-methyl-2H-[1,2,4]triazolo[3,4-b][1,3]benzothiazole-1-thione
MOLECULAR FORMULA: C9H7N3S2
MOLECULAR WEIGHT: 221.30198
SMILES: CC1=CC2=C(C=C1)N3C(=S)NN=C3S2
Structure:

CAS RN: 59503-80-9
CAS Name: (Z)-2-[3-benzamido-2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-1-azetidinyl]-3-methyl-4-oxo-2-butenoic acid methyl ester
OPENEYE Name: methyl (Z)-2-[3-benzamido-2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-azetidin-1-yl]-3-methyl-4-oxo-but-2-enoate
IUPAC Name: methyl (Z)-2-[3-benzamido-2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxoazetidin-1-yl]-3-methyl-4-oxobut-2-enoate
SYSTEMATIC NAME: methyl (Z)-2-[3-benzamido-2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxidanylidene-azetidin-1-yl]-3-methyl-4-oxidanylidene-but-2-enoate
MOLECULAR FORMULA: C23H19N3O5S3
MOLECULAR WEIGHT: 513.60906
SMILES: C/C(=C(\C(=O)OC)/N1C(C(C1=O)NC(=O)C2=CC=CC=C2)SSC3=NC4=CC=CC=C4S3)/C=O
Structure:

CAS RN: 63520-90-1
CAS Name: (3Z)-3-(4,5-diphenyl-3-dithiolylidene)-3,4-dihydro-2H-1-benzopyran-2,4-dione
OPENEYE Name: (3Z)-3-(4,5-diphenyldithiol-3-ylidene)chromane-2,4-dione
IUPAC Name: (3Z)-3-(4,5-diphenyldithiol-3-ylidene)chromene-2,4-dione
SYSTEMATIC NAME: (3Z)-3-(4,5-diphenyl-1,2-dithiol-3-ylidene)chromene-2,4-dione
MOLECULAR FORMULA: C24H14O3S2
MOLECULAR WEIGHT: 414.49616
SMILES: C1=CC=C(C=C1)C\2=C(SS/C2=C\3/C(=O)C4=CC=CC=C4OC3=O)C5=CC=CC=C5
Structure:

CAS RN: 62681-22-5
CAS Name: (2E)-2-(2-carbamoyl-2-chloro-3-oxo-1-indenylidene)-2-cyanoacetic acid ethyl ester
OPENEYE Name: ethyl (2E)-2-(2-carbamoyl-2-chloro-3-oxo-indan-1-ylidene)-2-cyano-acetate
IUPAC Name: ethyl (2E)-2-(2-carbamoyl-2-chloro-3-oxoinden-1-ylidene)-2-cyanoacetate
SYSTEMATIC NAME: ethyl (2E)-2-(2-aminocarbonyl-2-chloranyl-3-oxidanylidene-inden-1-ylidene)-2-cyano-ethanoate
MOLECULAR FORMULA: C15H11ClN2O4
MOLECULAR WEIGHT: 318.71184
SMILES: CCOC(=O)/C(=C/1\C2=CC=CC=C2C(=O)C1(C(=O)N)Cl)/C#N
Structure:

CAS RN: 61656-33-5
CAS Name: (4E)-5-methyl-4-[(5E)-5-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)-1,2,4-trithiolan-3-ylidene]-2-phenyl-3-pyrazolone
OPENEYE Name: (4E)-5-methyl-4-[(5E)-5-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-1,2,4-trithiolan-3-ylidene]-2-phenyl-pyrazol-3-one
IUPAC Name: (4E)-5-methyl-4-[(5E)-5-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-1,2,4-trithiolan-3-ylidene]-2-phenylpyrazol-3-one
SYSTEMATIC NAME: (4E)-5-methyl-4-[(5E)-5-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-1,2,4-trithiolan-3-ylidene]-2-phenyl-pyrazol-3-one
MOLECULAR FORMULA: C22H16N4O2S3
MOLECULAR WEIGHT: 464.58304
SMILES: CC\1=NN(C(=O)/C1=C\2/SS/C(=C\3/C(=O)N(N=C3C)C4=CC=CC=C4)/S2)C5=CC=CC=C5
Structure:

CAS RN: 61656-32-4
CAS Name: (5E)-2-cyclopentylidene-5-[(5E)-5-(3-cyclopentylidene-2-oxocyclopentylidene)-1,2,4-trithiolan-3-ylidene]-1-cyclopentanone
OPENEYE Name: (5E)-2-cyclopentylidene-5-[(5E)-5-(3-cyclopentylidene-2-oxo-cyclopentylidene)-1,2,4-trithiolan-3-ylidene]cyclopentanone
IUPAC Name: (5E)-2-cyclopentylidene-5-[(5E)-5-(3-cyclopentylidene-2-oxocyclopentylidene)-1,2,4-trithiolan-3-ylidene]cyclopentan-1-one
SYSTEMATIC NAME: (5E)-2-cyclopentylidene-5-[(5E)-5-(3-cyclopentylidene-2-oxidanylidene-cyclopentylidene)-1,2,4-trithiolan-3-ylidene]cyclopentan-1-one
MOLECULAR FORMULA: C22H24O2S3
MOLECULAR WEIGHT: 416.61976
SMILES: C1CC(=C2C(=O)/C(=C\3/SS/C(=C\4/C(=O)C(=C5CCCC5)CC4)/S3)/CC2)CC1
Structure:

CAS RN: 61656-31-3
CAS Name: (2E)-2-[(5E)-5-(2-oxocyclopentylidene)-1,2,4-trithiolan-3-ylidene]-1-cyclopentanone
OPENEYE Name: (2E)-2-[(5E)-5-(2-oxocyclopentylidene)-1,2,4-trithiolan-3-ylidene]cyclopentanone
IUPAC Name: (2E)-2-[(5E)-5-(2-oxocyclopentylidene)-1,2,4-trithiolan-3-ylidene]cyclopentan-1-one
SYSTEMATIC NAME: (2E)-2-[(5E)-5-(2-oxidanylidenecyclopentylidene)-1,2,4-trithiolan-3-ylidene]cyclopentan-1-one
MOLECULAR FORMULA: C12H12O2S3
MOLECULAR WEIGHT: 284.41748
SMILES: C1CC(=O)/C(=C\2/SS/C(=C\3/C(=O)CCC3)/S2)/C1
Structure:

CAS RN: 30346-04-4
CAS Name: acetic acid (7-oxo-8-phenyl-5-sulfanylidene-2,3-dihydrooxazolo[3,2-c]pyrimidin-2-yl)methyl ester
OPENEYE Name: (7-oxo-8-phenyl-5-thioxo-2,3-dihydrooxazolo[3,2-c]pyrimidin-2-yl)methyl acetate
IUPAC Name: (7-oxo-8-phenyl-5-sulfanylidene-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidin-2-yl)methyl acetate
SYSTEMATIC NAME: (7-oxidanylidene-8-phenyl-5-sulfanylidene-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidin-2-yl)methyl ethanoate
MOLECULAR FORMULA: C15H14N2O4S
MOLECULAR WEIGHT: 318.34766
SMILES: CC(=O)OCC1CN2C(=C(C(=O)NC2=S)C3=CC=CC=C3)O1
Structure:

CAS RN: 25902-57-2
CAS Name: 1-(2,5-dithia-7-azabicyclo[2.2.1]heptan-7-yl)-3-propylthiourea
OPENEYE Name: 1-(2,5-dithia-7-azabicyclo[2.2.1]heptan-7-yl)-3-propyl-thiourea
IUPAC Name: 1-(2,5-dithia-7-azabicyclo[2.2.1]heptan-7-yl)-3-propylthiourea
SYSTEMATIC NAME: 1-(2,5-dithia-7-azabicyclo[2.2.1]heptan-7-yl)-3-propyl-thiourea
MOLECULAR FORMULA: C8H15N3S3
MOLECULAR WEIGHT: 249.4198
SMILES: CCCNC(=S)NN1C2CSC1CS2
Structure:

CAS RN: 51075-23-1
CAS Name: trimethyl-[(Z)-2-phenylprop-1-enoxy]silane
OPENEYE Name: trimethyl-[(Z)-2-phenylprop-1-enoxy]silane
IUPAC Name: trimethyl-[(Z)-2-phenylprop-1-enoxy]silane
SYSTEMATIC NAME: trimethyl-[(Z)-2-phenylprop-1-enoxy]silane
MOLECULAR FORMULA: C12H18OSi
MOLECULAR WEIGHT: 206.35622
SMILES: C/C(=C/O[Si](C)(C)C)/C1=CC=CC=C1
Structure:

CAS RN: 52406-31-2
CAS Name: 2-[[1,2-bis(sulfanylidene)-2-(2-sulfoethylamino)ethyl]amino]ethanesulfonic acid
OPENEYE Name: 2-[[2-(2-sulfoethylamino)-2-thioxo-ethanethioyl]amino]ethanesulfonic acid
IUPAC Name: 2-[[2-sulfanylidene-2-(2-sulfoethylamino)ethanethioyl]amino]ethanesulfonic acid
SYSTEMATIC NAME: 2-[[2-sulfanylidene-2-(2-sulfoethylamino)ethanethioyl]amino]ethanesulfonic acid
MOLECULAR FORMULA: C6H12N2O6S4
MOLECULAR WEIGHT: 336.42928
SMILES: C(CS(=O)(=O)O)NC(=S)C(=S)NCCS(=O)(=O)O
Structure:

CAS RN: 61766-87-8
CAS Name: 2-[(Z)-3-(diethylamino)-2-methyl-1-phenylprop-1-enyl]benzenesulfonamide
OPENEYE Name: 2-[(Z)-3-(diethylamino)-2-methyl-1-phenyl-prop-1-enyl]benzenesulfonamide
IUPAC Name: 2-[(Z)-3-(diethylamino)-2-methyl-1-phenylprop-1-enyl]benzenesulfonamide
SYSTEMATIC NAME: 2-[(Z)-3-(diethylamino)-2-methyl-1-phenyl-prop-1-enyl]benzenesulfonamide
MOLECULAR FORMULA: C20H26N2O2S
MOLECULAR WEIGHT: 358.49764
SMILES: CCN(CC)C/C(=C(/C1=CC=CC=C1)\C2=CC=CC=C2S(=O)(=O)N)/C
Structure:

CAS RN: 68641-01-0
CAS Name: (3Z)-3-(dimethylaminomethylidene)-2-oxo-1-(1-oxopentyl)-5-indolecarboxaldehyde
OPENEYE Name: (3Z)-3-(dimethylaminomethylene)-2-oxo-1-pentanoyl-indoline-5-carbaldehyde
IUPAC Name: (3Z)-3-(dimethylaminomethylidene)-2-oxo-1-pentanoylindole-5-carbaldehyde
SYSTEMATIC NAME: (3Z)-3-(dimethylaminomethylidene)-2-oxidanylidene-1-pentanoyl-indole-5-carbaldehyde
MOLECULAR FORMULA: C17H20N2O3
MOLECULAR WEIGHT: 300.3523
SMILES: CCCCC(=O)N1C2=C(C=C(C=C2)C=O)/C(=C/N(C)C)/C1=O
Structure:

CAS RN: 56270-92-9
CAS Name: 6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[2,3-d]oxazole-2-thione
OPENEYE Name: 6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[2,3-d]oxazole-2-thione
IUPAC Name: 6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-3H-furo[2,3-d][1,3]oxazole-2-thione
SYSTEMATIC NAME: 5-(hydroxymethyl)-6-oxidanyl-3a,5,6,6a-tetrahydro-3H-furo[2,3-d][1,3]oxazole-2-thione
MOLECULAR FORMULA: C6H9NO4S
MOLECULAR WEIGHT: 191.20496
SMILES: C(C1C(C2C(O1)NC(=S)O2)O)O
Structure:

CAS RN: 41278-43-7
CAS Name: (E)-3-amino-2,3-diphenyl-2-propenenitrile
OPENEYE Name: (E)-3-amino-2,3-diphenyl-prop-2-enenitrile
IUPAC Name: (E)-3-amino-2,3-diphenylprop-2-enenitrile
SYSTEMATIC NAME: (E)-3-azanyl-2,3-diphenyl-prop-2-enenitrile
MOLECULAR FORMULA: C15H12N2
MOLECULAR WEIGHT: 220.26918
SMILES: C1=CC=C(C=C1)/C(=C(/C2=CC=CC=C2)\N)/C#N
Structure:

CAS RN: 66870-10-8
CAS Name: 3-amino-4-butyl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 3-amino-4-butyl-1H-1,2,4-triazole-5-thione
IUPAC Name: 3-amino-4-butyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-azanyl-4-butyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C6H12N4S
MOLECULAR WEIGHT: 172.25128
SMILES: CCCCN1C(=NNC1=S)N
Structure:

CAS RN: 16111-47-0
CAS Name: 1,5-bis(2-furanyl)-1,2,5,6-tetrahydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dithione
OPENEYE Name: 1,5-bis(2-furyl)-1,2,5,6-tetrahydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dithione
IUPAC Name: 1,5-bis(furan-2-yl)-1,2,5,6-tetrahydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dithione
SYSTEMATIC NAME: 1,5-bis(furan-2-yl)-1,2,5,6-tetrahydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dithione
MOLECULAR FORMULA: C12H10N4O2S2
MOLECULAR WEIGHT: 306.3634
SMILES: C1=COC(=C1)C2NC(=S)N3N2C(=S)NC3C4=CC=CO4
Structure:

CAS RN: 18522-01-5
CAS Name: 4-spiro[1,5,6,7,8,9-hexahydrocyclohepta[d][1,3]thiazine-2,1'-cycloheptane]thione
OPENEYE Name: spiro[1,5,6,7,8,9-hexahydrocyclohepta[d][1,3]thiazine-2,1'-cycloheptane]-4-thione
IUPAC Name: spiro[1,5,6,7,8,9-hexahydrocyclohepta[d][1,3]thiazine-2,1'-cycloheptane]-4-thione
SYSTEMATIC NAME: spiro[1,5,6,7,8,9-hexahydrocyclohepta[d][1,3]thiazine-2,1'-cycloheptane]-4-thione
MOLECULAR FORMULA: C15H23NS2
MOLECULAR WEIGHT: 281.47982
SMILES: C1CCCC2(CC1)NC3=C(CCCCC3)C(=S)S2
Structure:

CAS RN: 53619-34-4
CAS Name: 2-phenyl-2,3-dihydro-1H-quinazoline-4-thione
OPENEYE Name: 2-phenyl-2,3-dihydro-1H-quinazoline-4-thione
IUPAC Name: 2-phenyl-2,3-dihydro-1H-quinazoline-4-thione
SYSTEMATIC NAME: 2-phenyl-2,3-dihydro-1H-quinazoline-4-thione
MOLECULAR FORMULA: C14H12N2S
MOLECULAR WEIGHT: 240.32348
SMILES: C1=CC=C(C=C1)C2NC3=CC=CC=C3C(=S)N2
Structure:

CAS RN: 15267-16-0
CAS Name: 1-[2-[2-[[anilino(sulfanylidene)methyl]amino]ethyldisulfanyl]ethyl]-3-phenylthiourea
OPENEYE Name: 1-phenyl-3-[2-[2-(phenylcarbamothioylamino)ethyldisulfanyl]ethyl]thiourea
IUPAC Name: 1-phenyl-3-[2-[2-(phenylcarbamothioylamino)ethyldisulfanyl]ethyl]thiourea
SYSTEMATIC NAME: 1-phenyl-3-[2-[2-(phenylcarbamothioylamino)ethyldisulfanyl]ethyl]thiourea
MOLECULAR FORMULA: C18H22N4S4
MOLECULAR WEIGHT: 422.65408
SMILES: C1=CC=C(C=C1)NC(=S)NCCSSCCNC(=S)NC2=CC=CC=C2
Structure:

CAS RN: 15267-13-7
CAS Name: 1-[2-[2-[carbamothioyl(methyl)amino]ethyldisulfanyl]ethyl]-1-methylthiourea
OPENEYE Name: 1-[2-[2-[carbamothioyl(methyl)amino]ethyldisulfanyl]ethyl]-1-methyl-thiourea
IUPAC Name: 1-[2-[2-[carbamothioyl(methyl)amino]ethyldisulfanyl]ethyl]-1-methylthiourea
SYSTEMATIC NAME: 1-[2-[2-[carbamothioyl(methyl)amino]ethyldisulfanyl]ethyl]-1-methyl-thiourea
MOLECULAR FORMULA: C8H18N4S4
MOLECULAR WEIGHT: 298.51532
SMILES: CN(CCSSCCN(C)C(=S)N)C(=S)N
Structure:

CAS RN: 31926-73-5
CAS Name: (E)-3-amino-2-(2,5-dioxo-3-pyrrolidinyl)-2-butenoic acid ethyl ester
OPENEYE Name: ethyl (E)-3-amino-2-(2,5-dioxopyrrolidin-3-yl)but-2-enoate
IUPAC Name: ethyl (E)-3-amino-2-(2,5-dioxopyrrolidin-3-yl)but-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-azanyl-2-[2,5-bis(oxidanylidene)pyrrolidin-3-yl]but-2-enoate
MOLECULAR FORMULA: C10H14N2O4
MOLECULAR WEIGHT: 226.22916
SMILES: CCOC(=O)/C(=C(\C)/N)/C1CC(=O)NC1=O
Structure:

CAS RN: 40725-67-5
CAS Name: bis(carbamothioylamino)phosphorylthiourea
OPENEYE Name: bis(carbamothioylamino)phosphorylthiourea
IUPAC Name: bis(carbamothioylamino)phosphorylthiourea
SYSTEMATIC NAME: 1-bis(carbamothioylamino)phosphorylthiourea
MOLECULAR FORMULA: C3H9N6OPS3
MOLECULAR WEIGHT: 272.311921
SMILES: C(=S)(N)NP(=O)(NC(=S)N)NC(=S)N
Structure:

CAS RN: 92547-63-2
CAS Name: 5-but-2-enyl-5-propan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
OPENEYE Name: 5-but-2-enyl-5-isopropyl-2-thioxo-hexahydropyrimidine-4,6-dione
IUPAC Name: 5-but-2-enyl-5-propan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
SYSTEMATIC NAME: 5-but-2-enyl-5-propan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
MOLECULAR FORMULA: C11H16N2O2S
MOLECULAR WEIGHT: 240.32194
SMILES: CC=CCC1(C(=O)NC(=S)NC1=O)C(C)C
Structure:

CAS RN: 21434-03-7
CAS Name: (Z)-3-(diphenylphosphorylamino)-2,4-bis(4-fluorophenyl)-2-butenenitrile
OPENEYE Name: (Z)-3-(diphenylphosphorylamino)-2,4-bis(4-fluorophenyl)but-2-enenitrile
IUPAC Name: (Z)-3-(diphenylphosphorylamino)-2,4-bis(4-fluorophenyl)but-2-enenitrile
SYSTEMATIC NAME: (Z)-3-(diphenylphosphorylamino)-2,4-bis(4-fluorophenyl)but-2-enenitrile
MOLECULAR FORMULA: C28H21F2N2OP
MOLECULAR WEIGHT: 470.449707
SMILES: C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)N/C(=C(\C#N)/C3=CC=C(C=C3)F)/CC4=CC=C(C=C4)F
Structure:

CAS RN: 20446-95-1
CAS Name: N-[[[bis[[(ethoxycarbonylhydrazo)-sulfanylidenemethyl]amino]phosphorylamino]-sulfanylidenemethyl]amino]carbamic acid ethyl ester
OPENEYE Name: ethyl N-[bis[(ethoxycarbonylamino)carbamothioylamino]phosphorylcarbamothioylamino]carbamate
IUPAC Name: ethyl N-[bis[(ethoxycarbonylamino)carbamothioylamino]phosphorylcarbamothioylamino]carbamate
SYSTEMATIC NAME: ethyl N-[bis[(ethoxycarbonylamino)carbamothioylamino]phosphorylcarbamothioylamino]carbamate
MOLECULAR FORMULA: C12H24N9O7PS3
MOLECULAR WEIGHT: 533.543821
SMILES: CCOC(=O)NNC(=S)NP(=O)(NC(=S)NNC(=O)OCC)NC(=S)NNC(=O)OCC
Structure:

CAS RN: 13925-32-1
CAS Name: 7-methyl-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidine-4-thione
OPENEYE Name: 7-methyl-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidine-4-thione
IUPAC Name: 7-methyl-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidine-4-thione
SYSTEMATIC NAME: 7-methyl-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidine-4-thione
MOLECULAR FORMULA: C7H9N3S
MOLECULAR WEIGHT: 167.23146
SMILES: CC1C2=C(CN1)C(=S)N=CN2
Structure:

CAS RN: 66234-88-6
CAS Name: 6-mercapto-1,2-dihydropyridazine-3,4-dithione
OPENEYE Name: 6-sulfanyl-1,2-dihydropyridazine-3,4-dithione
IUPAC Name: 6-sulfanyl-1,2-dihydropyridazine-3,4-dithione
SYSTEMATIC NAME: 6-sulfanyl-1,2-dihydropyridazine-3,4-dithione
MOLECULAR FORMULA: C4H4N2S3
MOLECULAR WEIGHT: 176.28296
SMILES: C1=C(NNC(=S)C1=S)S
Structure:

CAS RN: 826-78-8
CAS Name: 6-bromo-1H-cinnoline-4-thione
OPENEYE Name: 6-bromo-1H-cinnoline-4-thione
IUPAC Name: 6-bromo-1H-cinnoline-4-thione
SYSTEMATIC NAME: 6-bromanyl-1H-cinnoline-4-thione
MOLECULAR FORMULA: C8H5BrN2S
MOLECULAR WEIGHT: 241.1077
SMILES: C1=CC2=C(C=C1Br)C(=S)C=NN2
Structure:

CAS RN: 75291-68-8
CAS Name: 1-methyl-3-phenyl-1-[4-(1-pyrrolidinyl)-2-pyridinyl]thiourea
OPENEYE Name: 1-methyl-3-phenyl-1-(4-pyrrolidin-1-yl-2-pyridyl)thiourea
IUPAC Name: 1-methyl-3-phenyl-1-(4-pyrrolidin-1-ylpyridin-2-yl)thiourea
SYSTEMATIC NAME: 1-methyl-3-phenyl-1-(4-pyrrolidin-1-ylpyridin-2-yl)thiourea
MOLECULAR FORMULA: C17H20N4S
MOLECULAR WEIGHT: 312.4325
SMILES: CN(C1=NC=CC(=C1)N2CCCC2)C(=S)NC3=CC=CC=C3
Structure:

CAS RN: 16221-26-4
CAS Name: 1-bis[[[[methylamino(sulfanylidene)methyl]hydrazo]-oxomethyl]amino]phosphoryl-3-[[methylamino(sulfanylidene)methyl]amino]urea
OPENEYE Name: 1-bis[(methylcarbamothioylamino)carbamoylamino]phosphoryl-3-(methylcarbamothioylamino)urea
IUPAC Name: 1-bis[(methylcarbamothioylamino)carbamoylamino]phosphoryl-3-(methylcarbamothioylamino)urea
SYSTEMATIC NAME: 1-bis[(methylcarbamothioylamino)carbamoylamino]phosphoryl-3-(methylcarbamothioylamino)urea
MOLECULAR FORMULA: C9H21N12O4PS3
MOLECULAR WEIGHT: 488.509801
SMILES: CNC(=S)NNC(=O)NP(=O)(NC(=O)NNC(=S)NC)NC(=O)NNC(=S)NC
Structure:

CAS RN: 1208-14-6
CAS Name: 1-(phenylmethyl)-2-sulfanylidene-4-pyrimidinone
OPENEYE Name: 1-benzyl-2-thioxo-pyrimidin-4-one
IUPAC Name: 1-benzyl-2-sulfanylidenepyrimidin-4-one
SYSTEMATIC NAME: 1-(phenylmethyl)-2-sulfanylidene-pyrimidin-4-one
MOLECULAR FORMULA: C11H10N2OS
MOLECULAR WEIGHT: 218.2749
SMILES: C1=CC=C(C=C1)CN2C=CC(=O)NC2=S
Structure:

CAS RN: 14623-50-8
CAS Name: 8-methoxy-5,6-dihydro-1H-benzo[h]quinazoline-2-thione
OPENEYE Name: 8-methoxy-5,6-dihydro-1H-benzo[h]quinazoline-2-thione
IUPAC Name: 8-methoxy-5,6-dihydro-1H-benzo[h]quinazoline-2-thione
SYSTEMATIC NAME: 8-methoxy-5,6-dihydro-1H-benzo[h]quinazoline-2-thione
MOLECULAR FORMULA: C13H12N2OS
MOLECULAR WEIGHT: 244.31218
SMILES: COC1=CC2=C(C=C1)C3=C(CC2)C=NC(=S)N3
Structure:

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