200,000+ products from a single source!
sales@angenechem.com
Home > Aldehydes > 303010-08-4
303010-08-4 | Benzaldehyde, 4-[[5-[[(1-naphthalenylmethyl)thio]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3-nitro-
CAS No: 303010-08-4 Catalog No: AG002ZKX MDL No:
Product Description
Catalog Number:
AG002ZKX
Chemical Name:
Benzaldehyde, 4-[[5-[[(1-naphthalenylmethyl)thio]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3-nitro-
CAS Number:
303010-08-4
Molecular Formula:
C27H20N4O3S2
Molecular Weight:
512.6027
IUPAC Name:
4-[[5-(naphthalen-1-ylmethylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitrobenzaldehyde
InChI:
InChI=1S/C27H20N4O3S2/c32-16-19-13-14-25(24(15-19)31(33)34)36-27-29-28-26(30(27)22-10-2-1-3-11-22)18-35-17-21-9-6-8-20-7-4-5-12-23(20)21/h1-16H,17-18H2
InChI Key:
CUEZOSUKWBWOIY-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)[N+](=O)[O-])Sc1nnc(n1c1ccccc1)CSCc1cccc2c1cccc2
Properties
Complexity:
734
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
512.098g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
512.602g/mol
Monoisotopic Mass:
512.098g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.