CAS RN: 6978-45-6
CAS Name: 2-(1-naphthalenyl)-N-[1-piperidinyl(sulfanylidene)methyl]acetamide
OPENEYE Name: 2-(1-naphthyl)-N-(piperidine-1-carbothioyl)acetamide
IUPAC Name: 2-naphthalen-1-yl-N-(piperidine-1-carbothioyl)acetamide
SYSTEMATIC NAME: 2-naphthalen-1-yl-N-piperidin-1-ylcarbothioyl-ethanamide
MOLECULAR FORMULA: C18H20N2OS
MOLECULAR WEIGHT: 312.4292
SMILES: C1CCN(CC1)C(=S)NC(=O)CC2=CC=CC3=CC=CC=C32
Structure:
CAS RN: 6978-44-5
CAS Name: N-[(2-hydroxyanilino)-sulfanylidenemethyl]-2-(1-naphthalenyl)acetamide
OPENEYE Name: N-[(2-hydroxyphenyl)carbamothioyl]-2-(1-naphthyl)acetamide
IUPAC Name: N-[(2-hydroxyphenyl)carbamothioyl]-2-naphthalen-1-ylacetamide
SYSTEMATIC NAME: N-[(2-hydroxyphenyl)carbamothioyl]-2-naphthalen-1-yl-ethanamide
MOLECULAR FORMULA: C19H16N2O2S
MOLECULAR WEIGHT: 336.40754
SMILES: C1=CC=C2C(=C1)C=CC=C2CC(=O)NC(=S)NC3=CC=CC=C3O
Structure:
CAS RN: 6978-42-3
CAS Name: N-[(4-cyanoanilino)-sulfanylidenemethyl]-2-(1-naphthalenyl)acetamide
OPENEYE Name: N-[(4-cyanophenyl)carbamothioyl]-2-(1-naphthyl)acetamide
IUPAC Name: N-[(4-cyanophenyl)carbamothioyl]-2-naphthalen-1-ylacetamide
SYSTEMATIC NAME: N-[(4-cyanophenyl)carbamothioyl]-2-naphthalen-1-yl-ethanamide
MOLECULAR FORMULA: C20H15N3OS
MOLECULAR WEIGHT: 345.4176
SMILES: C1=CC=C2C(=C1)C=CC=C2CC(=O)NC(=S)NC3=CC=C(C=C3)C#N
Structure:
CAS RN: 6978-19-4
CAS Name: N-[1-azepanyl(sulfanylidene)methyl]-4-chloro-3-nitrobenzamide
OPENEYE Name: N-(azepane-1-carbothioyl)-4-chloro-3-nitro-benzamide
IUPAC Name: N-(azepane-1-carbothioyl)-4-chloro-3-nitrobenzamide
SYSTEMATIC NAME: N-(azepan-1-ylcarbothioyl)-4-chloranyl-3-nitro-benzamide
MOLECULAR FORMULA: C14H16ClN3O3S
MOLECULAR WEIGHT: 341.81314
SMILES: C1CCCN(CC1)C(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]
Structure:
CAS RN: 6978-18-3
CAS Name: 4-chloro-3-nitro-N-[[(phenylmethyl)amino]-sulfanylidenemethyl]benzamide
OPENEYE Name: N-(benzylcarbamothioyl)-4-chloro-3-nitro-benzamide
IUPAC Name: N-(benzylcarbamothioyl)-4-chloro-3-nitrobenzamide
SYSTEMATIC NAME: 4-chloranyl-3-nitro-N-[(phenylmethyl)carbamothioyl]benzamide
MOLECULAR FORMULA: C15H12ClN3O3S
MOLECULAR WEIGHT: 349.79208
SMILES: C1=CC=C(C=C1)CNC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]
Structure:
CAS RN: 6978-33-2
CAS Name: 2-(2-chlorophenoxy)-N-[(4-fluoroanilino)-sulfanylidenemethyl]acetamide
OPENEYE Name: 2-(2-chlorophenoxy)-N-[(4-fluorophenyl)carbamothioyl]acetamide
IUPAC Name: 2-(2-chlorophenoxy)-N-[(4-fluorophenyl)carbamothioyl]acetamide
SYSTEMATIC NAME: 2-(2-chloranylphenoxy)-N-[(4-fluorophenyl)carbamothioyl]ethanamide
MOLECULAR FORMULA: C15H12ClFN2O2S
MOLECULAR WEIGHT: 338.784383
SMILES: C1=CC=C(C(=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)F)Cl
Structure:
CAS RN: 6978-32-1
CAS Name: 2-(2-chlorophenoxy)-N-[(4-methylanilino)-sulfanylidenemethyl]acetamide
OPENEYE Name: 2-(2-chlorophenoxy)-N-(p-tolylcarbamothioyl)acetamide
IUPAC Name: 2-(2-chlorophenoxy)-N-[(4-methylphenyl)carbamothioyl]acetamide
SYSTEMATIC NAME: 2-(2-chloranylphenoxy)-N-[(4-methylphenyl)carbamothioyl]ethanamide
MOLECULAR FORMULA: C16H15ClN2O2S
MOLECULAR WEIGHT: 334.8205
SMILES: CC1=CC=C(C=C1)NC(=S)NC(=O)COC2=CC=CC=C2Cl
Structure:
CAS RN: 6978-36-5
CAS Name: 2-(2-chlorophenoxy)-N-[sulfanylidene-(2-thiazolylamino)methyl]acetamide
OPENEYE Name: 2-(2-chlorophenoxy)-N-(thiazol-2-ylcarbamothioyl)acetamide
IUPAC Name: 2-(2-chlorophenoxy)-N-(1,3-thiazol-2-ylcarbamothioyl)acetamide
SYSTEMATIC NAME: 2-(2-chloranylphenoxy)-N-(1,3-thiazol-2-ylcarbamothioyl)ethanamide
MOLECULAR FORMULA: C12H10ClN3O2S2
MOLECULAR WEIGHT: 327.8097
SMILES: C1=CC=C(C(=C1)OCC(=O)NC(=S)NC2=NC=CS2)Cl
Structure:
CAS RN: 6978-25-2
CAS Name: N-[(2-cyanoanilino)-sulfanylidenemethyl]-2-(4-ethylphenoxy)acetamide
OPENEYE Name: N-[(2-cyanophenyl)carbamothioyl]-2-(4-ethylphenoxy)acetamide
IUPAC Name: N-[(2-cyanophenyl)carbamothioyl]-2-(4-ethylphenoxy)acetamide
SYSTEMATIC NAME: N-[(2-cyanophenyl)carbamothioyl]-2-(4-ethylphenoxy)ethanamide
MOLECULAR FORMULA: C18H17N3O2S
MOLECULAR WEIGHT: 339.41148
SMILES: CCC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=CC=C2C#N
Structure:
CAS RN: 59849-29-5
CAS Name: N-[anilino(sulfanylidene)methyl]-4-methoxybenzamide
OPENEYE Name: 4-methoxy-N-(phenylcarbamothioyl)benzamide
IUPAC Name: 4-methoxy-N-(phenylcarbamothioyl)benzamide
SYSTEMATIC NAME: 4-methoxy-N-(phenylcarbamothioyl)benzamide
MOLECULAR FORMULA: C15H14N2O2S
MOLECULAR WEIGHT: 286.34886
SMILES: COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2
Structure:
CAS RN: 1477-24-3
CAS Name: 5-pyridin-4-yl-1,2-dihydro-1,2,4-triazole-3-thione
OPENEYE Name: 5-(4-pyridyl)-1,2-dihydro-1,2,4-triazole-3-thione
IUPAC Name: 5-pyridin-4-yl-1,2-dihydro-1,2,4-triazole-3-thione
SYSTEMATIC NAME: 5-pyridin-4-yl-1,2-dihydro-1,2,4-triazole-3-thione
MOLECULAR FORMULA: C7H6N4S
MOLECULAR WEIGHT: 178.21434
SMILES: C1=CN=CC=C1C2=NC(=S)NN2
Structure:
CAS RN: 6202-74-0
CAS Name: 2-chloro-N-[4-(4-methoxyphenyl)-2-thiazolyl]acetamide
OPENEYE Name: 2-chloro-N-[4-(4-methoxyphenyl)thiazol-2-yl]acetamide
IUPAC Name: 2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
SYSTEMATIC NAME: 2-chloranyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamide
MOLECULAR FORMULA: C12H11ClN2O2S
MOLECULAR WEIGHT: 282.74594
SMILES: COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCl
Structure:
CAS RN: 4005-05-4
CAS Name: 4-(2-methyl-4-oxo-3-quinazolinyl)benzoic acid
OPENEYE Name: 4-(2-methyl-4-oxo-quinazolin-3-yl)benzoic acid
IUPAC Name: 4-(2-methyl-4-oxoquinazolin-3-yl)benzoic acid
SYSTEMATIC NAME: 4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)benzoic acid
MOLECULAR FORMULA: C16H12N2O3
MOLECULAR WEIGHT: 280.27808
SMILES: CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)O
Structure:
CAS RN: 61658-90-0
CAS Name: (3Z)-3-ethylidene-1-isobenzofuranone
OPENEYE Name: (3Z)-3-ethylideneisobenzofuran-1-one
IUPAC Name: (3Z)-3-ethylidene-2-benzofuran-1-one
SYSTEMATIC NAME: (3Z)-3-ethylidene-2-benzofuran-1-one
MOLECULAR FORMULA: C10H8O2
MOLECULAR WEIGHT: 160.16932
SMILES: C/C=C\1/C2=CC=CC=C2C(=O)O1
Structure:
CAS RN: 52023-48-0
CAS Name: 2-sulfanylidene-1H-pteridin-4-one
OPENEYE Name: 2-thioxo-1H-pteridin-4-one
IUPAC Name: 2-sulfanylidene-1H-pteridin-4-one
SYSTEMATIC NAME: 2-sulfanylidene-1H-pteridin-4-one
MOLECULAR FORMULA: C6H4N4OS
MOLECULAR WEIGHT: 180.18716
SMILES: C1=CN=C2C(=N1)C(=O)NC(=S)N2
Structure:
CAS RN: 14422-49-2
CAS Name: 2-[(2-chloro-1-oxoethyl)amino]benzoic acid
OPENEYE Name: 2-[(2-chloroacetyl)amino]benzoic acid
IUPAC Name: 2-[(2-chloroacetyl)amino]benzoic acid
SYSTEMATIC NAME: 2-(2-chloranylethanoylamino)benzoic acid
MOLECULAR FORMULA: C9H8ClNO3
MOLECULAR WEIGHT: 213.61772
SMILES: C1=CC=C(C(=C1)C(=O)O)NC(=O)CCl
Structure:
CAS RN: 6974-47-6
CAS Name: (Z)-3-(1,3-benzodioxol-5-yl)-2-methyl-2-propenal
OPENEYE Name: (Z)-3-(1,3-benzodioxol-5-yl)-2-methyl-prop-2-enal
IUPAC Name: (Z)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-enal
SYSTEMATIC NAME: (Z)-3-(1,3-benzodioxol-5-yl)-2-methyl-prop-2-enal
MOLECULAR FORMULA: C11H10O3
MOLECULAR WEIGHT: 190.1953
SMILES: C/C(=C/C1=CC2=C(C=C1)OCO2)/C=O
Structure:
CAS RN: 101214-06-6
CAS Name: (2S)-4-methyl-2-[[oxo(3-pyridinyl)methyl]amino]pentanoic acid
OPENEYE Name: (2S)-4-methyl-2-(pyridine-3-carbonylamino)pentanoic acid
IUPAC Name: (2S)-4-methyl-2-(pyridine-3-carbonylamino)pentanoic acid
SYSTEMATIC NAME: (2S)-4-methyl-2-(pyridin-3-ylcarbonylamino)pentanoic acid
MOLECULAR FORMULA: C12H16N2O3
MOLECULAR WEIGHT: 236.26704
SMILES: CC(C)C[C@@H](C(=O)O)NC(=O)C1=CN=CC=C1
Structure:
CAS RN: 10293-06-8
CAS Name: (1S,2R,4R)-2-bromo-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanone
OPENEYE Name: (1R,3R,4S)-3-bromo-1,7,7-trimethyl-norbornan-2-one
IUPAC Name: (1S,2R,4R)-2-bromo-4,7,7-trimethylbicyclo[2.2.1]heptan-3-one
SYSTEMATIC NAME: (1S,2R,4R)-2-bromanyl-4,7,7-trimethyl-bicyclo[2.2.1]heptan-3-one
MOLECULAR FORMULA: C10H15BrO
MOLECULAR WEIGHT: 231.1295
SMILES: C[C@@]12CC[C@@H](C1(C)C)[C@H](C2=O)Br
Structure:
CAS RN: 86690-79-1
CAS Name: (E)-4-(4-hydroxyphenyl)-4-oxo-2-butenoic acid
OPENEYE Name: (E)-4-(4-hydroxyphenyl)-4-oxo-but-2-enoic acid
IUPAC Name: (E)-4-(4-hydroxyphenyl)-4-oxobut-2-enoic acid
SYSTEMATIC NAME: (E)-4-(4-hydroxyphenyl)-4-oxidanylidene-but-2-enoic acid
MOLECULAR FORMULA: C10H8O4
MOLECULAR WEIGHT: 192.16812
SMILES: C1=CC(=CC=C1C(=O)/C=C/C(=O)O)O
Structure:
CAS RN: 5662-55-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H12N4O
MOLECULAR WEIGHT: 288.30338
SMILES: C1=CC2=C3C(=C1)C(=NC3=CC=C2)NNC(=O)C4=CC=NC=C4
Structure:
CAS RN: 3028-02-2
CAS Name: N-(1,3-benzothiazol-2-yl)-2-chloroacetamide
OPENEYE Name: N-(1,3-benzothiazol-2-yl)-2-chloro-acetamide
IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-chloroacetamide
SYSTEMATIC NAME: N-(1,3-benzothiazol-2-yl)-2-chloranyl-ethanamide
MOLECULAR FORMULA: C9H7ClN2OS
MOLECULAR WEIGHT: 226.68268
SMILES: C1=CC=C2C(=C1)N=C(S2)NC(=O)CCl
Structure:
CAS RN: 4622-08-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H10N4
MOLECULAR WEIGHT: 294.3095
SMILES: C1=CC=C2C(=C1)N=C3N2N=C4C5=CC=CC6=C5C(=CC=C6)C4=N3
Structure:
CAS RN: 123280-64-8
CAS Name: 3,6-dichloro-2-methylpyridine
OPENEYE Name: 3,6-dichloro-2-methyl-pyridine
IUPAC Name: 3,6-dichloro-2-methylpyridine
SYSTEMATIC NAME: 3,6-bis(chloranyl)-2-methyl-pyridine
MOLECULAR FORMULA: C6H5Cl2N
MOLECULAR WEIGHT: 162.0166
SMILES: CC1=C(C=CC(=N1)Cl)Cl
Structure:
CAS RN: 374913-86-7
CAS Name: 2-(4-chloro-3,5-dimethyl-1-pyrazolyl)acetic acid
OPENEYE Name: 2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)acetic acid
IUPAC Name: 2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetic acid
SYSTEMATIC NAME: 2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)ethanoic acid
MOLECULAR FORMULA: C7H9ClN2O2
MOLECULAR WEIGHT: 188.61156
SMILES: CC1=C(C(=NN1CC(=O)O)C)Cl
Structure:
CAS RN: 5915-42-4
CAS Name: (3,4-dimethoxyphenyl)-(8-hydroxy-4-methoxy-1-naphthalenyl)methanone
OPENEYE Name: (3,4-dimethoxyphenyl)-(8-hydroxy-4-methoxy-1-naphthyl)methanone
IUPAC Name: (3,4-dimethoxyphenyl)-(8-hydroxy-4-methoxynaphthalen-1-yl)methanone
SYSTEMATIC NAME: (3,4-dimethoxyphenyl)-(4-methoxy-8-oxidanyl-naphthalen-1-yl)methanone
MOLECULAR FORMULA: C20H18O5
MOLECULAR WEIGHT: 338.35392
SMILES: COC1=C2C=CC=C(C2=C(C=C1)C(=O)C3=CC(=C(C=C3)OC)OC)O
Structure:
CAS RN: 28113-96-4
CAS Name: 3-[3-(2-carboxyethyl)-1-imidazol-1-iumyl]propanoate
OPENEYE Name: 3-[3-(2-carboxyethyl)imidazol-1-ium-1-yl]propanoate
IUPAC Name: 3-[3-(2-carboxyethyl)imidazol-1-ium-1-yl]propanoate
SYSTEMATIC NAME: 3-[3-(3-hydroxy-3-oxopropyl)imidazol-1-ium-1-yl]propanoate
MOLECULAR FORMULA: C9H12N2O4
MOLECULAR WEIGHT: 212.20258
SMILES: C1=C[N+](=CN1CCC(=O)O)CCC(=O)[O-]
Structure:
No comments:
Post a Comment