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N-(3,4-dimethylphenyl)-2-[[5-(4-hydroxyphenyl)-4-methyl-1,2,,4-triazo

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摘 要: N-(3,4-dimethylphenyl)-2-[[5-(4-hydroxyphenyl)-4-methyl-1,2,,4-triazol-3-yl]sulfanyl]acetamide,Canonical SMILES: CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)O)C,InChI: InChI=1/C19H20N4O2S/c1-12-4-7-15(10-13(12)2)20-17(25)11-26-19-22-21-18,(23(19
[Synonyms]

[Structure]
 N-(3,4-dimethylphenyl)-2-[[5-(4-hydroxyphenyl)-4-methyl-1,2,,4-triazo

[ Properties Computed from Structure]
Molecular Weight368.4527 [g/mol]
Molecular FormulaC19H20N4O2S
XLogP5
H-Bond Donor2
H-Bond Acceptor5
Rotatable Bond Count5
Tautomer Count6
Exact Mass368.130697
MonoIsotopic Mass368.130697
Topological Polar Surface Area80
Heavy Atom Count26
Formal Charge0
Complexity473
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N-(3,4-dimethylphenyl)-2-[[5-(4-hydroxyphenyl)-4-methyl-1,2,
4-triazol-3-yl]sulfanyl]acetamide
Canonical SMILES: CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)O)C
InChI: InChI=1/C19H20N4O2S/c1-12-4-7-15(10-13(12)2)20-17(25)11-26-19-22-21-18
(23(19)3)14-5-8-16(24)9-6-14/h4-10,24H,11H2,1-3H3,(H,20,25)/f/h20H

 
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