CAS RN: 24916-33-4
CAS Name: 1-phenyl-3-[2,4,5-trihydroxy-6-(hydroxymethyl)-3-oxanyl]thiourea
OPENEYE Name: 1-phenyl-3-[2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]thiourea
IUPAC Name: 1-phenyl-3-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]thiourea
SYSTEMATIC NAME: 1-[6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]-3-phenyl-thiourea
MOLECULAR FORMULA: C13H18N2O5S
MOLECULAR WEIGHT: 314.35742
SMILES: C1=CC=C(C=C1)NC(=S)NC2C(C(C(OC2O)CO)O)O
Structure:
CAS RN: 331274-58-9
CAS Name: 5-[4-(2-methoxyphenyl)-1-piperazinyl]-5-oxopentanoate
OPENEYE Name: 5-[4-(2-methoxyphenyl)piperazin-1-yl]-5-oxo-pentanoate
IUPAC Name: 5-[4-(2-methoxyphenyl)piperazin-1-yl]-5-oxopentanoate
SYSTEMATIC NAME: 5-[4-(2-methoxyphenyl)piperazin-1-yl]-5-oxidanylidene-pentanoate
MOLECULAR FORMULA: C16H21N2O4-
MOLECULAR WEIGHT: 305.34894
SMILES: COC1=CC=CC=C1N2CCN(CC2)C(=O)CCCC(=O)[O-]
Structure:
CAS RN: 105434-90-0
CAS Name: 3-amino-1H-pyrazole-5-carboxylic acid ethyl ester
OPENEYE Name: ethyl 3-amino-1H-pyrazole-5-carboxylate
IUPAC Name: ethyl 3-amino-1H-pyrazole-5-carboxylate
SYSTEMATIC NAME: ethyl 3-azanyl-1H-pyrazole-5-carboxylate
MOLECULAR FORMULA: C6H9N3O2
MOLECULAR WEIGHT: 155.15456
SMILES: CCOC(=O)C1=CC(=NN1)N
Structure:
CAS RN: 5793-88-4
CAS Name: calcium 2,3,4,5-tetrahydroxyhexanedioate
OPENEYE Name: calcium 2,3,4,5-tetrahydroxyhexanedioate
IUPAC Name: calcium 2,3,4,5-tetrahydroxyhexanedioate
SYSTEMATIC NAME: calcium 2,3,4,5-tetrakis(oxidanyl)hexanedioate
MOLECULAR FORMULA: C6H8CaO8
MOLECULAR WEIGHT: 248.20092
SMILES: C(C(C(C(=O)[O-])O)O)(C(C(=O)[O-])O)O.[Ca+2]
Structure:
CAS RN: 42783-78-8
CAS Name: 2,2-diethoxyethoxymethylbenzene
OPENEYE Name: 2,2-diethoxyethoxymethylbenzene
IUPAC Name: 2,2-diethoxyethoxymethylbenzene
SYSTEMATIC NAME: 2,2-diethoxyethoxymethylbenzene
MOLECULAR FORMULA: C13H20O3
MOLECULAR WEIGHT: 224.2961
SMILES: CCOC(COCC1=CC=CC=C1)OCC
Structure:
CAS RN: 221021-36-9
CAS Name: 4-(3-formylphenyl)benzoic acid methyl ester
OPENEYE Name: methyl 4-(3-formylphenyl)benzoate
IUPAC Name: methyl 4-(3-formylphenyl)benzoate
SYSTEMATIC NAME: methyl 4-(3-methanoylphenyl)benzoate
MOLECULAR FORMULA: C15H12O3
MOLECULAR WEIGHT: 240.25398
SMILES: COC(=O)C1=CC=C(C=C1)C2=CC(=CC=C2)C=O
Structure:
CAS RN: 172035-84-6
CAS Name: 1-[4-(3-thiophenyl)phenyl]ethanone
OPENEYE Name: 1-[4-(3-thienyl)phenyl]ethanone
IUPAC Name: 1-(4-thiophen-3-ylphenyl)ethanone
SYSTEMATIC NAME: 1-(4-thiophen-3-ylphenyl)ethanone
MOLECULAR FORMULA: C12H10OS
MOLECULAR WEIGHT: 202.2722
SMILES: CC(=O)C1=CC=C(C=C1)C2=CSC=C2
Structure:
CAS RN: 99902-03-1
CAS Name: 2-(3-thiophenyl)benzaldehyde
OPENEYE Name: 2-(3-thienyl)benzaldehyde
IUPAC Name: 2-thiophen-3-ylbenzaldehyde
SYSTEMATIC NAME: 2-thiophen-3-ylbenzaldehyde
MOLECULAR FORMULA: C11H8OS
MOLECULAR WEIGHT: 188.24562
SMILES: C1=CC=C(C(=C1)C=O)C2=CSC=C2
Structure:
CAS RN: 19143-21-6
CAS Name: 5-[(4-bromophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carboxaldehyde
OPENEYE Name: 5-[(4-bromophenyl)methyl]-4-oxo-2-thioxo-1H-pyrimidine-6-carbaldehyde
IUPAC Name: 5-[(4-bromophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde
SYSTEMATIC NAME: 5-[(4-bromophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde
MOLECULAR FORMULA: C12H9BrN2O2S
MOLECULAR WEIGHT: 325.18106
SMILES: C1=CC(=CC=C1CC2=C(NC(=S)NC2=O)C=O)Br
Structure:
CAS RN: 52868-64-1
CAS Name: 5-amino-2-sulfanylidene-3H-thiazole-4-carboxylic acid ethyl ester
OPENEYE Name: ethyl 5-amino-2-thioxo-3H-thiazole-4-carboxylate
IUPAC Name: ethyl 5-amino-2-sulfanylidene-3H-1,3-thiazole-4-carboxylate
SYSTEMATIC NAME: ethyl 5-azanyl-2-sulfanylidene-3H-1,3-thiazole-4-carboxylate
MOLECULAR FORMULA: C6H8N2O2S2
MOLECULAR WEIGHT: 204.26992
SMILES: CCOC(=O)C1=C(SC(=S)N1)N
Structure:
CAS RN: 13037-12-2
CAS Name: N-methylcarbamodithioic acid prop-2-enyl ester
OPENEYE Name: allyl N-methylcarbamodithioate
IUPAC Name: prop-2-enyl N-methylcarbamodithioate
SYSTEMATIC NAME: prop-2-enyl N-methylcarbamodithioate
MOLECULAR FORMULA: C5H9NS2
MOLECULAR WEIGHT: 147.26166
SMILES: CNC(=S)SCC=C
Structure:
CAS RN: 60253-29-4
CAS Name: 4-chloro-N-methylbenzenecarbothioamide
OPENEYE Name: 4-chloro-N-methyl-benzenecarbothioamide
IUPAC Name: 4-chloro-N-methylbenzenecarbothioamide
SYSTEMATIC NAME: 4-chloranyl-N-methyl-benzenecarbothioamide
MOLECULAR FORMULA: C8H8ClNS
MOLECULAR WEIGHT: 185.67382
SMILES: CNC(=S)C1=CC=C(C=C1)Cl
Structure:
CAS RN: 57462-42-7
CAS Name: 2-[[[1-[6-amino-2-[[[1-[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxohexyl]-2-pyrrolidinyl]-oxomethyl]amino]-N-[5-amino-1-[[1-[[1-[[2-[[1-[(1-amino-1-oxohexan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethy
OPENEYE Name: 2-[[1-[6-amino-2-[[1-(2-amino-5-guanidino-pentanoyl)pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-N-[4-amino-1-[[1-benzyl-2-[[1-benzyl-2-[[2-[[1-(1-carbamoylpentylcarbamoyl)-3-methyl-butyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]
IUPAC Name: 2-[[1-[6-amino-2-[[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-N-[5-amino-1-[[1-[[1-[[2-[[1-[(1-amino-1-oxohexan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3
SYSTEMATIC NAME: 2-[[1-[6-azanyl-2-[[1-[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]carbonylamino]hexanoyl]pyrrolidin-2-yl]carbonylamino]-N-[5-azanyl-1-[[1-[[1-[[2-[[1-[(1-azanyl-1-oxidanylidene-hexan-2-yl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]
MOLECULAR FORMULA: C64H100N18O13
MOLECULAR WEIGHT: 1329.5916
SMILES: CCCCC(C(=O)N)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C3CCCN3C(=O)C(CCCCN)NC(=O)C4CCCN4C(=O)C(CCCN=C(N)N)N
Structure:
CAS RN: 14533-63-2
CAS Name: sodium 1-propanesulfonate
OPENEYE Name: sodium propane-1-sulfonate
IUPAC Name: sodium propane-1-sulfonate
SYSTEMATIC NAME: sodium propane-1-sulfonate
MOLECULAR FORMULA: C3H7NaO3S
MOLECULAR WEIGHT: 146.14065
SMILES: CCCS(=O)(=O)[O-].[Na+]
Structure:
CAS RN: 27032-01-5
CAS Name: [2-cyano-2-(1-pyridin-1-iumyl)ethenylidene]azanide
OPENEYE Name: (2-cyano-2-pyridin-1-ium-1-yl-ethenylidene)azanide
IUPAC Name: (2-cyano-2-pyridin-1-ium-1-ylethenylidene)azanide
SYSTEMATIC NAME: (2-cyano-2-pyridin-1-ium-1-yl-ethenylidene)azanide
MOLECULAR FORMULA: C8H5N3
MOLECULAR WEIGHT: 143.1454
SMILES: C1=CC=[N+](C=C1)C(=C=[N-])C#N
Structure:
CAS RN: 85748-35-2
CAS Name: N-[[2-phenyl-1-(2-pyridinyl)ethylidene]amino]carbamodithioic acid methyl ester
OPENEYE Name: methyl N-[[2-phenyl-1-(2-pyridyl)ethylidene]amino]carbamodithioate
IUPAC Name: methyl N-[(2-phenyl-1-pyridin-2-ylethylidene)amino]carbamodithioate
SYSTEMATIC NAME: methyl N-[(2-phenyl-1-pyridin-2-yl-ethylidene)amino]carbamodithioate
MOLECULAR FORMULA: C15H15N3S2
MOLECULAR WEIGHT: 301.4297
SMILES: CSC(=S)NN=C(CC1=CC=CC=C1)C2=CC=CC=N2
Structure:
CAS RN: 82588-52-1
CAS Name: [[6-(4-phenylphenyl)-2,3-dihydroimidazo[2,1-b]thiazol-5-yl]methylideneamino]thiourea
OPENEYE Name: [[6-(4-phenylphenyl)-2,3-dihydroimidazo[2,1-b]thiazol-5-yl]methyleneamino]thiourea
IUPAC Name: [[6-(4-phenylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]thiourea
SYSTEMATIC NAME: 1-[[6-(4-phenylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]thiourea
MOLECULAR FORMULA: C19H17N5S2
MOLECULAR WEIGHT: 379.50178
SMILES: C1CSC2=NC(=C(N21)C=NNC(=S)N)C3=CC=C(C=C3)C4=CC=CC=C4
Structure:
CAS RN: 69818-44-6
CAS Name: 9-[2-(diethylamino)ethyl]-3H-purine-2,6-dithione
OPENEYE Name: 9-[2-(diethylamino)ethyl]-3H-purine-2,6-dithione
IUPAC Name: 9-[2-(diethylamino)ethyl]-3H-purine-2,6-dithione
SYSTEMATIC NAME: 9-[2-(diethylamino)ethyl]-3H-purine-2,6-dithione
MOLECULAR FORMULA: C11H17N5S2
MOLECULAR WEIGHT: 283.41618
SMILES: CCN(CC)CCN1C=NC2=C1NC(=S)NC2=S
Structure:
CAS RN: 24723-37-3
CAS Name: 3-(2-phenoxyethoxy)benzenecarbothioamide
OPENEYE Name: 3-(2-phenoxyethoxy)benzenecarbothioamide
IUPAC Name: 3-(2-phenoxyethoxy)benzenecarbothioamide
SYSTEMATIC NAME: 3-(2-phenoxyethoxy)benzenecarbothioamide
MOLECULAR FORMULA: C15H15NO2S
MOLECULAR WEIGHT: 273.3501
SMILES: C1=CC=C(C=C1)OCCOC2=CC=CC(=C2)C(=S)N
Structure:
CAS RN: 20744-42-7
CAS Name: benzoic acid [4,5-diacetyloxy-2-(azidomethyl)-6-methoxy-3-oxanyl] ester
OPENEYE Name: [4,5-diacetoxy-2-(azidomethyl)-6-methoxy-tetrahydropyran-3-yl] benzoate
IUPAC Name: [4,5-diacetyloxy-2-(azidomethyl)-6-methoxyoxan-3-yl] benzoate
SYSTEMATIC NAME: [4,5-diacetyloxy-2-(azidomethyl)-6-methoxy-oxan-3-yl] benzoate
MOLECULAR FORMULA: C18H21N3O8
MOLECULAR WEIGHT: 407.37464
SMILES: CC(=O)OC1C(C(OC(C1OC(=O)C)OC)CN=[N+]=[N-])OC(=O)C2=CC=CC=C2
Structure:
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