CAS RN: 2631-93-8
CAS Name: (2Z)-2-cyano-2-[(5Z)-5-(1-cyano-2-ethoxy-2-oxoethylidene)-1,2,4-trithiolan-3-ylidene]acetic acid ethyl ester
OPENEYE Name: ethyl (2Z)-2-cyano-2-[(5Z)-5-(1-cyano-2-ethoxy-2-oxo-ethylidene)-1,2,4-trithiolan-3-ylidene]acetate
IUPAC Name: ethyl (2Z)-2-cyano-2-[(5Z)-5-(1-cyano-2-ethoxy-2-oxoethylidene)-1,2,4-trithiolan-3-ylidene]acetate
SYSTEMATIC NAME: ethyl (2Z)-2-cyano-2-[(5Z)-5-(1-cyano-2-ethoxy-2-oxidanylidene-ethylidene)-1,2,4-trithiolan-3-ylidene]ethanoate
MOLECULAR FORMULA: C12H10N2O4S3
MOLECULAR WEIGHT: 342.4138
SMILES: CCOC(=O)/C(=C/1\SS/C(=C(\C(=O)OCC)/C#N)/S1)/C#N
Structure:
CAS RN: 1079-42-1
CAS Name: 3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propanoic acid
OPENEYE Name: 3-(2-amino-6-methyl-4-thioxo-1H-pyrimidin-5-yl)propanoic acid
IUPAC Name: 3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propanoic acid
SYSTEMATIC NAME: 3-(2-azanyl-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propanoic acid
MOLECULAR FORMULA: C8H11N3O2S
MOLECULAR WEIGHT: 213.25684
SMILES: CC1=C(C(=S)N=C(N1)N)CCC(=O)O
Structure:
CAS RN: 6508-29-8
CAS Name: 8-(ethylthio)-1,3-dimethyl-7H-purine-2,6-dithione
OPENEYE Name: 8-ethylsulfanyl-1,3-dimethyl-7H-purine-2,6-dithione
IUPAC Name: 8-ethylsulfanyl-1,3-dimethyl-7H-purine-2,6-dithione
SYSTEMATIC NAME: 8-ethylsulfanyl-1,3-dimethyl-7H-purine-2,6-dithione
MOLECULAR FORMULA: C9H12N4S3
MOLECULAR WEIGHT: 272.41338
SMILES: CCSC1=NC2=C(N1)C(=S)N(C(=S)N2C)C
Structure:
CAS RN: 16958-11-5
CAS Name: (3Z)-3-(4-morpholinylmethylidene)-1-benzothiophene 1,1-dioxide
OPENEYE Name: (3Z)-3-(morpholinomethylene)benzothiophene 1,1-dioxide
IUPAC Name: (3Z)-3-(morpholin-4-ylmethylidene)-1-benzothiophene 1,1-dioxide
SYSTEMATIC NAME: (3Z)-3-(morpholin-4-ylmethylidene)-1-benzothiophene 1,1-dioxide
MOLECULAR FORMULA: C13H15NO3S
MOLECULAR WEIGHT: 265.3281
SMILES: C1COCCN1/C=C/2\CS(=O)(=O)C3=CC=CC=C23
Structure:
CAS RN: 1728-18-3
CAS Name: (3Z)-3-(4-morpholinylmethylidene)-1-benzothiophene 1,1-dioxide
OPENEYE Name: (3Z)-3-(morpholinomethylene)benzothiophene 1,1-dioxide
IUPAC Name: (3Z)-3-(morpholin-4-ylmethylidene)-1-benzothiophene 1,1-dioxide
SYSTEMATIC NAME: (3Z)-3-(morpholin-4-ylmethylidene)-1-benzothiophene 1,1-dioxide
MOLECULAR FORMULA: C13H15NO3S
MOLECULAR WEIGHT: 265.3281
SMILES: C1COCCN1/C=C/2\CS(=O)(=O)C3=CC=CC=C23
Structure:
CAS RN: 3173-12-4
CAS Name: 3-ethyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thione
OPENEYE Name: 3-ethyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thione
IUPAC Name: 3-ethyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thione
SYSTEMATIC NAME: 3-ethyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thione
MOLECULAR FORMULA: C5H6N4S2
MOLECULAR WEIGHT: 186.25794
SMILES: CCC1=NN=C2N1NC(=S)S2
Structure:
CAS RN: 13228-79-0
CAS Name: N-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)formamide
OPENEYE Name: N-(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)formamide
IUPAC Name: N-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)formamide
SYSTEMATIC NAME: N-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)methanamide
MOLECULAR FORMULA: C4H6N4OS
MOLECULAR WEIGHT: 158.18164
SMILES: CC1=NNC(=S)N1NC=O
Structure:
CAS RN: 876-77-7
CAS Name: 8-bromo-1H-cinnoline-4-thione
OPENEYE Name: 8-bromo-1H-cinnoline-4-thione
IUPAC Name: 8-bromo-1H-cinnoline-4-thione
SYSTEMATIC NAME: 8-bromanyl-1H-cinnoline-4-thione
MOLECULAR FORMULA: C8H5BrN2S
MOLECULAR WEIGHT: 241.1077
SMILES: C1=CC2=C(C(=C1)Br)NN=CC2=S
Structure:
CAS RN: 876-79-9
CAS Name: 8-fluoro-1H-cinnoline-4-thione
OPENEYE Name: 8-fluoro-1H-cinnoline-4-thione
IUPAC Name: 8-fluoro-1H-cinnoline-4-thione
SYSTEMATIC NAME: 8-fluoranyl-1H-cinnoline-4-thione
MOLECULAR FORMULA: C8H5FN2S
MOLECULAR WEIGHT: 180.202103
SMILES: C1=CC2=C(C(=C1)F)NN=CC2=S
Structure:
CAS RN: 89033-50-1
CAS Name: 5-amino-1,2-dihydropyridazine-3,4-dithione
OPENEYE Name: 5-amino-1,2-dihydropyridazine-3,4-dithione
IUPAC Name: 5-amino-1,2-dihydropyridazine-3,4-dithione
SYSTEMATIC NAME: 5-azanyl-1,2-dihydropyridazine-3,4-dithione
MOLECULAR FORMULA: C4H5N3S2
MOLECULAR WEIGHT: 159.2326
SMILES: C1=C(C(=S)C(=S)NN1)N
Structure:
CAS RN: 7255-94-9
CAS Name: 1,3-bis(1H-indazol-6-yl)thiourea
OPENEYE Name: 1,3-bis(1H-indazol-6-yl)thiourea
IUPAC Name: 1,3-bis(1H-indazol-6-yl)thiourea
SYSTEMATIC NAME: 1,3-bis(1H-indazol-6-yl)thiourea
MOLECULAR FORMULA: C15H12N6S
MOLECULAR WEIGHT: 308.36098
SMILES: C1=CC2=C(C=C1NC(=S)NC3=CC4=C(C=C3)C=NN4)NN=C2
Structure:
CAS RN: 4454-49-3
CAS Name: 2,2,3,3,3-pentafluoro-N',N'-dimethylpropanethiohydrazide
OPENEYE Name: 2,2,3,3,3-pentafluoro-N',N'-dimethyl-propanethiohydrazide
IUPAC Name: 2,2,3,3,3-pentafluoro-N',N'-dimethylpropanethiohydrazide
SYSTEMATIC NAME: 2,2,3,3,3-pentakis(fluoranyl)-N',N'-dimethyl-propanethiohydrazide
MOLECULAR FORMULA: C5H7F5N2S
MOLECULAR WEIGHT: 222.179496
SMILES: CN(C)NC(=S)C(C(F)(F)F)(F)F
Structure:
CAS RN: 926-93-2
CAS Name: 1-but-3-en-2-yl-3-[[methylamino(sulfanylidene)methyl]amino]thiourea
OPENEYE Name: 1-methyl-3-(1-methylallylcarbamothioylamino)thiourea
IUPAC Name: 1-but-3-en-2-yl-3-(methylcarbamothioylamino)thiourea
SYSTEMATIC NAME: 1-but-3-en-2-yl-3-(methylcarbamothioylamino)thiourea
MOLECULAR FORMULA: C7H14N4S2
MOLECULAR WEIGHT: 218.34286
SMILES: CC(C=C)NC(=S)NNC(=S)NC
Structure:
CAS RN: 6967-57-3
CAS Name: 7-methyl-2-sulfanylidene-1,5-dihydropteridine-4,6-dione
OPENEYE Name: 7-methyl-2-thioxo-1,5-dihydropteridine-4,6-dione
IUPAC Name: 7-methyl-2-sulfanylidene-1,5-dihydropteridine-4,6-dione
SYSTEMATIC NAME: 7-methyl-2-sulfanylidene-1,5-dihydropteridine-4,6-dione
MOLECULAR FORMULA: C7H6N4O2S
MOLECULAR WEIGHT: 210.21314
SMILES: CC1=NC2=C(C(=O)NC(=S)N2)NC1=O
Structure:
CAS RN: 6956-26-9
CAS Name: 8-sulfanylidene-7,9-dihydro-3H-purin-2-one
OPENEYE Name: 8-thioxo-7,9-dihydro-3H-purin-2-one
IUPAC Name: 8-sulfanylidene-7,9-dihydro-3H-purin-2-one
SYSTEMATIC NAME: 8-sulfanylidene-7,9-dihydro-3H-purin-2-one
MOLECULAR FORMULA: C5H4N4OS
MOLECULAR WEIGHT: 168.17646
SMILES: C1=NC(=O)NC2=C1NC(=S)N2
Structure:
CAS RN: 6958-59-4
CAS Name: 4,5-bis(phenylmethylthio)-1H-pyridazine-6-thione
OPENEYE Name: 4,5-bis(benzylsulfanyl)-1H-pyridazine-6-thione
IUPAC Name: 4,5-bis(benzylsulfanyl)-1H-pyridazine-6-thione
SYSTEMATIC NAME: 4,5-bis(phenylmethylsulfanyl)-1H-pyridazine-6-thione
MOLECULAR FORMULA: C18H16N2S3
MOLECULAR WEIGHT: 356.52804
SMILES: C1=CC=C(C=C1)CSC2=C(C(=S)NN=C2)SCC3=CC=CC=C3
Structure:
CAS RN: 3438-83-3
CAS Name: 2-[(4-sulfanylidene-5,6-dihydroimidazo[4,5-d]pyridazin-7-yl)thio]acetic acid
OPENEYE Name: 2-[(4-thioxo-5,6-dihydroimidazo[4,5-d]pyridazin-7-yl)sulfanyl]acetic acid
IUPAC Name: 2-[(4-sulfanylidene-5,6-dihydroimidazo[4,5-d]pyridazin-7-yl)sulfanyl]acetic acid
SYSTEMATIC NAME: 2-[(4-sulfanylidene-5,6-dihydroimidazo[4,5-d]pyridazin-7-yl)sulfanyl]ethanoic acid
MOLECULAR FORMULA: C7H6N4O2S2
MOLECULAR WEIGHT: 242.27814
SMILES: C1=NC2=C(NNC(=S)C2=N1)SCC(=O)O
Structure:
CAS RN: 6958-50-5
CAS Name: 2-[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]-2-methyl-3-oxobutanoic acid ethyl ester
OPENEYE Name: ethyl 2-(4,6-dithioxo-1H-1,3,5-triazin-2-yl)-2-methyl-3-oxo-butanoate
IUPAC Name: ethyl 2-[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]-2-methyl-3-oxobutanoate
SYSTEMATIC NAME: ethyl 2-[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]-2-methyl-3-oxidanylidene-butanoate
MOLECULAR FORMULA: C10H13N3O3S2
MOLECULAR WEIGHT: 287.35852
SMILES: CCOC(=O)C(C)(C1=NC(=S)NC(=S)N1)C(=O)C
Structure:
CAS RN: 6965-89-5
CAS Name: 5-[(4-methyl-3-oxido-2-quinazolin-3-iumyl)methylthio]-3H-1,3,4-thiadiazole-2-thione
OPENEYE Name: 5-[(4-methyl-3-oxido-quinazolin-3-ium-2-yl)methylsulfanyl]-3H-1,3,4-thiadiazole-2-thione
IUPAC Name: 5-[(4-methyl-3-oxidoquinazolin-3-ium-2-yl)methylsulfanyl]-3H-1,3,4-thiadiazole-2-thione
SYSTEMATIC NAME: 5-[(4-methyl-3-oxidanidyl-quinazolin-3-ium-2-yl)methylsulfanyl]-3H-1,3,4-thiadiazole-2-thione
MOLECULAR FORMULA: C12H10N4OS3
MOLECULAR WEIGHT: 322.429
SMILES: CC1=[N+](C(=NC2=CC=CC=C12)CSC3=NNC(=S)S3)[O-]
Structure:
CAS RN: 539-97-9
CAS Name: 1-prop-2-enyl-3-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]thiourea
OPENEYE Name: 1-allyl-3-(allylcarbamothioylamino)thiourea
IUPAC Name: 1-prop-2-enyl-3-(prop-2-enylcarbamothioylamino)thiourea
SYSTEMATIC NAME: 1-prop-2-enyl-3-(prop-2-enylcarbamothioylamino)thiourea
MOLECULAR FORMULA: C8H14N4S2
MOLECULAR WEIGHT: 230.35356
SMILES: C=CCNC(=S)NNC(=S)NCC=C
Structure:
CAS RN: 7400-05-7
CAS Name: 6-amino-5-(2,2-diethoxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one
OPENEYE Name: 6-amino-5-(2,2-diethoxyethyl)-2-thioxo-1H-pyrimidin-4-one
IUPAC Name: 6-amino-5-(2,2-diethoxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one
SYSTEMATIC NAME: 6-azanyl-5-(2,2-diethoxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one
MOLECULAR FORMULA: C10H17N3O3S
MOLECULAR WEIGHT: 259.32528
SMILES: CCOC(CC1=C(NC(=S)NC1=O)N)OCC
Structure:
CAS RN: 6944-72-5
CAS Name: 2-methyl-3-sulfanylidene-1,2,4-triazin-5-one
OPENEYE Name: 2-methyl-3-thioxo-1,2,4-triazin-5-one
IUPAC Name: 2-methyl-3-sulfanylidene-1,2,4-triazin-5-one
SYSTEMATIC NAME: 2-methyl-3-sulfanylidene-1,2,4-triazin-5-one
MOLECULAR FORMULA: C4H5N3OS
MOLECULAR WEIGHT: 143.167
SMILES: CN1C(=S)NC(=O)C=N1
Structure:
CAS RN: 24397-98-6
CAS Name: 2-amino-9-pentyl-3H-purine-6-thione
OPENEYE Name: 2-amino-9-pentyl-3H-purine-6-thione
IUPAC Name: 2-amino-9-pentyl-3H-purine-6-thione
SYSTEMATIC NAME: 2-azanyl-9-pentyl-3H-purine-6-thione
MOLECULAR FORMULA: C10H15N5S
MOLECULAR WEIGHT: 237.3246
SMILES: CCCCCN1C=NC2=C1NC(=NC2=S)N
Structure:
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