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380436-89-5 | 3-[4-(2,6-dimethylphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-N,N-dimethylbenzene-1-sulfonamide
CAS No: 380436-89-5 Catalog No: AG019HEO MDL No:MFCD03476328
Product Description
Catalog Number:
AG019HEO
Chemical Name:
3-[4-(2,6-dimethylphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-N,N-dimethylbenzene-1-sulfonamide
CAS Number:
380436-89-5
Molecular Formula:
C18H20N4O2S2
Molecular Weight:
388.5070
MDL Number:
MFCD03476328
IUPAC Name:
3-[4-(2,6-dimethylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-N,N-dimethylbenzenesulfonamide
InChI:
InChI=1S/C18H20N4O2S2/c1-12-7-5-8-13(2)16(12)22-17(19-20-18(22)25)14-9-6-10-15(11-14)26(23,24)21(3)4/h5-11H,1-4H3,(H,20,25)
InChI Key:
YLAWEQLYSSTQHJ-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1n1c(S)nnc1c1cccc(c1)S(=O)(=O)N(C)C)C
Properties
Complexity:
661
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.103g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
388.504g/mol
Monoisotopic Mass:
388.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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