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Home > Nitro Compounds > 338394-96-0
338394-96-0 | (3Z)-N-[1-methyl-5-(methylsulfanyl)-1H-1,2,4-triazol-3-yl]-3-{[(4-nitrophenyl)methoxy]imino}propanamide
CAS No: 338394-96-0 Catalog No: AG00IOOX MDL No:MFCD00201944
Product Description
Catalog Number:
AG00IOOX
Chemical Name:
(3Z)-N-[1-methyl-5-(methylsulfanyl)-1H-1,2,4-triazol-3-yl]-3-{[(4-nitrophenyl)methoxy]imino}propanamide
CAS Number:
338394-96-0
Molecular Formula:
C14H16N6O4S
Molecular Weight:
364.3796
MDL Number:
MFCD00201944
IUPAC Name:
N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-[(4-nitrophenyl)methoxyimino]propanamide
InChI:
InChI=1S/C14H16N6O4S/c1-19-14(25-2)17-13(18-19)16-12(21)7-8-15-24-9-10-3-5-11(6-4-10)20(22)23/h3-6,8H,7,9H2,1-2H3,(H,16,18,21)
InChI Key:
RULUGDMWQDPPFC-UHFFFAOYSA-N
SMILES:
CSc1nc(nn1C)NC(=O)C/C=N\OCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.095g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
364.38g/mol
Monoisotopic Mass:
364.095g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
153A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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