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866011-01-0 | 3-methyl-N-(5-{[(2-methylphenyl)methyl]sulfanyl}-1H-1,2,4-triazol-3-yl)benzene-1-sulfonamide
CAS No: 866011-01-0 Catalog No: AG00IVEU MDL No:MFCD05670457
Product Description
Catalog Number:
AG00IVEU
Chemical Name:
3-methyl-N-(5-{[(2-methylphenyl)methyl]sulfanyl}-1H-1,2,4-triazol-3-yl)benzene-1-sulfonamide
CAS Number:
866011-01-0
Molecular Formula:
C17H18N4O2S2
Molecular Weight:
374.4804
MDL Number:
MFCD05670457
IUPAC Name:
3-methyl-N-[3-[(2-methylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]benzenesulfonamide
InChI:
InChI=1S/C17H18N4O2S2/c1-12-6-5-9-15(10-12)25(22,23)21-16-18-17(20-19-16)24-11-14-8-4-3-7-13(14)2/h3-10H,11H2,1-2H3,(H2,18,19,20,21)
InChI Key:
YEKSEYANKUXRDH-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)S(=O)(=O)Nc1n[nH]c(n1)SCc1ccccc1C
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.087g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
374.477g/mol
Monoisotopic Mass:
374.087g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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