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728030-27-1 | N-Methyl-N-[(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CAS No: 728030-27-1 Catalog No: AG00JAAN MDL No:MFCD06016818
Product Description
Catalog Number:
AG00JAAN
Chemical Name:
N-Methyl-N-[(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CAS Number:
728030-27-1
Molecular Formula:
C16H16N4O2S2
Molecular Weight:
360.4538
MDL Number:
MFCD06016818
IUPAC Name:
N-methyl-N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
InChI:
InChI=1S/C16H16N4O2S2/c1-19(24(21,22)14-10-6-3-7-11-14)12-15-17-18-16(23)20(15)13-8-4-2-5-9-13/h2-11H,12H2,1H3,(H,18,23)
InChI Key:
ZHDFHHGVSKODGD-UHFFFAOYSA-N
SMILES:
Sc1nnc(n1c1ccccc1)CN(S(=O)(=O)c1ccccc1)C
Properties
Complexity:
588
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.071g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
360.45g/mol
Monoisotopic Mass:
360.071g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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