CAS RN: 101077-36-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H18N4OS
MOLECULAR WEIGHT: 290.38392
SMILES: COC1=CC2=C3C(=C1)/C(=N/NC(=S)N)/CCN3CCC2
Structure:
CAS RN: 101077-39-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H16N4S
MOLECULAR WEIGHT: 260.35794
SMILES: C1CC2=CC=CC\3=C2N(C1)CC/C3=N\NC(=S)N
Structure:
CAS RN: 101077-38-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H16N4O
MOLECULAR WEIGHT: 244.29234
SMILES: C1CC2=CC=CC\3=C2N(C1)CC/C3=N\NC(=O)N
Structure:
CAS RN: 102583-81-3
CAS Name: N-methylcarbamic acid [(Z)-(3-methoxyphenyl)methylideneamino] ester
OPENEYE Name: [(Z)-(3-methoxyphenyl)methyleneamino] N-methylcarbamate
IUPAC Name: [(Z)-(3-methoxyphenyl)methylideneamino] N-methylcarbamate
SYSTEMATIC NAME: [(Z)-(3-methoxyphenyl)methylideneamino] N-methylcarbamate
MOLECULAR FORMULA: C10H12N2O3
MOLECULAR WEIGHT: 208.21388
SMILES: CNC(=O)O/N=C\C1=CC(=CC=C1)OC
Structure:
CAS RN: 41108-59-2
CAS Name: 4-[[(E)-3-ethoxy-3-oxoprop-1-enyl]thio]butanoic acid
OPENEYE Name: 4-[(E)-3-ethoxy-3-oxo-prop-1-enyl]sulfanylbutanoic acid
IUPAC Name: 4-[(E)-3-ethoxy-3-oxoprop-1-enyl]sulfanylbutanoic acid
SYSTEMATIC NAME: 4-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]sulfanylbutanoic acid
MOLECULAR FORMULA: C9H14O4S
MOLECULAR WEIGHT: 218.27006
SMILES: CCOC(=O)/C=C/SCCCC(=O)O
Structure:
CAS RN: 41108-53-6
CAS Name: 3-[[(E)-2-carboxyethenyl]thio]propanoic acid
OPENEYE Name: 3-[(E)-2-carboxyvinyl]sulfanylpropanoic acid
IUPAC Name: 3-[(E)-2-carboxyethenyl]sulfanylpropanoic acid
SYSTEMATIC NAME: 3-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]sulfanylpropanoic acid
MOLECULAR FORMULA: C6H8O4S
MOLECULAR WEIGHT: 176.19032
SMILES: C(CS/C=C/C(=O)O)C(=O)O
Structure:
CAS RN: 41108-54-7
CAS Name: 3-[[(E)-2-carboxyethenyl]thio]propanoic acid
OPENEYE Name: 3-[(E)-2-carboxyvinyl]sulfanylpropanoic acid
IUPAC Name: 3-[(E)-2-carboxyethenyl]sulfanylpropanoic acid
SYSTEMATIC NAME: 3-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]sulfanylpropanoic acid
MOLECULAR FORMULA: C6H8O4S
MOLECULAR WEIGHT: 176.19032
SMILES: C(CS/C=C/C(=O)O)C(=O)O
Structure:
CAS RN: 34804-74-5
CAS Name: (6Z)-6,7-diphenyl-5,8-dihydrotetrathiocin
OPENEYE Name: (6Z)-6,7-diphenyl-5,8-dihydrotetrathiocine
IUPAC Name: (6Z)-6,7-diphenyl-5,8-dihydrotetrathiocine
SYSTEMATIC NAME: (6Z)-6,7-diphenyl-5,8-dihydro-1,2,3,4-tetrathiocine
MOLECULAR FORMULA: C16H14S4
MOLECULAR WEIGHT: 334.54236
SMILES: C1/C(=C(\CSSSS1)/C2=CC=CC=C2)/C3=CC=CC=C3
Structure:
CAS RN: 87259-18-5
CAS Name: (E)-3-(3-nitrophenyl)-2-propenenitrile
OPENEYE Name: (E)-3-(3-nitrophenyl)prop-2-enenitrile
IUPAC Name: (E)-3-(3-nitrophenyl)prop-2-enenitrile
SYSTEMATIC NAME: (E)-3-(3-nitrophenyl)prop-2-enenitrile
MOLECULAR FORMULA: C9H6N2O2
MOLECULAR WEIGHT: 174.15614
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C#N
Structure:
CAS RN: 4550-05-4
CAS Name: (Z)-1-nitro-1-octene
OPENEYE Name: (Z)-1-nitrooct-1-ene
IUPAC Name: (Z)-1-nitrooct-1-ene
SYSTEMATIC NAME: (Z)-1-nitrooct-1-ene
MOLECULAR FORMULA: C8H15NO2
MOLECULAR WEIGHT: 157.2102
SMILES: CCCCCC/C=C\[N+](=O)[O-]
Structure:
CAS RN: 100513-54-0
CAS Name: 4,4,4-trifluoro-3-hydroxy-1-thiophen-2-yl-3-(trifluoromethyl)-1-butanone oxime
OPENEYE Name: 4,4,4-trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)butan-1-one oxime
IUPAC Name: (4Z)-1,1,1-trifluoro-4-hydroxyimino-4-thiophen-2-yl-2-(trifluoromethyl)butan-2-ol
SYSTEMATIC NAME: (4Z)-1,1,1-tris(fluoranyl)-4-hydroxyimino-4-thiophen-2-yl-2-(trifluoromethyl)butan-2-ol
MOLECULAR FORMULA: C9H7F6NO2S
MOLECULAR WEIGHT: 307.212799
SMILES: C1=CSC(=C1)/C(=N\O)/CC(C(F)(F)F)(C(F)(F)F)O
Structure:
CAS RN: 59156-35-3
CAS Name: 1-hydroxy-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-6-one
OPENEYE Name: 1-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
IUPAC Name: 1-hydroxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
SYSTEMATIC NAME: 1-oxidanyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
MOLECULAR FORMULA: C13H12O3
MOLECULAR WEIGHT: 216.23258
SMILES: C1CCC2=C(C1)C3=C(C=CC=C3O)OC2=O
Structure:
CAS RN: 93044-40-7
CAS Name: 4-nitro-6-[(phenylhydrazo)methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: 4-nitro-6-[(2-phenylhydrazino)methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: 4-nitro-6-[(2-phenylhydrazinyl)methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: 4-nitro-6-[(2-phenylhydrazinyl)methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C13H11N3O3
MOLECULAR WEIGHT: 257.24474
SMILES: C1=CC=C(C=C1)NNC=C2C=C(C=CC2=O)[N+](=O)[O-]
Structure:
CAS RN: 51173-01-4
CAS Name: (5Z)-5-[amino(hydroxy)methylidene]-3-ethyl-1H-pyrazol-4-one
OPENEYE Name: (5Z)-5-[amino(hydroxy)methylene]-3-ethyl-1H-pyrazol-4-one
IUPAC Name: (5Z)-5-[amino(hydroxy)methylidene]-3-ethyl-1H-pyrazol-4-one
SYSTEMATIC NAME: (5Z)-5-[azanyl(oxidanyl)methylidene]-3-ethyl-1H-pyrazol-4-one
MOLECULAR FORMULA: C6H9N3O2
MOLECULAR WEIGHT: 155.15456
SMILES: CCC1=NN/C(=C(/N)\O)/C1=O
Structure:
CAS RN: 4485-16-9
CAS Name: (Z)-4-methyl-3-heptene
OPENEYE Name: (Z)-4-methylhept-3-ene
IUPAC Name: (Z)-4-methylhept-3-ene
SYSTEMATIC NAME: (Z)-4-methylhept-3-ene
MOLECULAR FORMULA: C8H16
MOLECULAR WEIGHT: 112.21264
SMILES: CCC/C(=C\CC)/C
Structure:
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