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Home > Sulfanilamide > 917747-43-4
917747-43-4 | N-[4-(5-Mercapto-4-phenyl-4H-[1,2,4]triazol-3-yl)-phenyl]-benzenesulfonamide
CAS No: 917747-43-4 Catalog No: AG01F4BC MDL No:
Product Description
Catalog Number:
AG01F4BC
Chemical Name:
N-[4-(5-Mercapto-4-phenyl-4H-[1,2,4]triazol-3-yl)-phenyl]-benzenesulfonamide
CAS Number:
917747-43-4
Molecular Formula:
C20H16N4O2S2
Molecular Weight:
408.4966
IUPAC Name:
N-[4-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
InChI:
InChI=1S/C20H16N4O2S2/c25-28(26,18-9-5-2-6-10-18)23-16-13-11-15(12-14-16)19-21-22-20(27)24(19)17-7-3-1-4-8-17/h1-14,23H,(H,22,27)
InChI Key:
CCRRMIWPDYTCEV-UHFFFAOYSA-N
SMILES:
Sc1nnc(n1c1ccccc1)c1ccc(cc1)NS(=O)(=O)c1ccccc1
Properties
Complexity:
684
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.071g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
408.494g/mol
Monoisotopic Mass:
408.071g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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