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Home > Sulfanilamide > 917747-31-0
917747-31-0 | N-{4-[4-(2-Ethoxy-phenyl)-5-mercapto-4H-[1,2,4]triazol-3-yl]-phenyl}-methanesulfonamide
CAS No: 917747-31-0 Catalog No: AG01F3BH MDL No:
Product Description
Catalog Number:
AG01F3BH
Chemical Name:
N-{4-[4-(2-Ethoxy-phenyl)-5-mercapto-4H-[1,2,4]triazol-3-yl]-phenyl}-methanesulfonamide
CAS Number:
917747-31-0
Molecular Formula:
C17H18N4O3S2
Molecular Weight:
390.4798
IUPAC Name:
N-[4-[4-(2-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]phenyl]methanesulfonamide
InChI:
InChI=1S/C17H18N4O3S2/c1-3-24-15-7-5-4-6-14(15)21-16(18-19-17(21)25)12-8-10-13(11-9-12)20-26(2,22)23/h4-11,20H,3H2,1-2H3,(H,19,25)
InChI Key:
ISZBSTWXIKMQJJ-UHFFFAOYSA-N
SMILES:
CCOc1ccccc1n1c(S)nnc1c1ccc(cc1)NS(=O)(=O)C
Properties
Complexity:
639
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.082g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
390.476g/mol
Monoisotopic Mass:
390.082g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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