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BAS 02993476,2-(4-Methyl-5-m-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N,N

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摘 要:BAS 02993476,2-(4-Methyl-5-m-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N,N-diphenyl-acetamide, 2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N,,N-di(phenyl)acetamide,Canonical SMILES: CC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)N(C3=CC=CC=C3)C4=CC=CC
[Synonyms]
BAS 02993476
2-(4-Methyl-5-m-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N,N-diphenyl-acetamide

[Structure]
BAS 02993476,2-(4-Methyl-5-m-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N,N

[ Properties Computed from Structure]
Molecular Weight414.52268 [g/mol]
Molecular FormulaC24H22N4OS
XLogP6.7
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count6
Exact Mass414.151432
MonoIsotopic Mass414.151432
Topological Polar Surface Area51
Heavy Atom Count30
Formal Charge0
Complexity531
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: 2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N,
N-di(phenyl)acetamide
Canonical SMILES: CC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1/C24H22N4OS/c1-18-10-9-11-19(16-18)23-25-26-24(27(23)2)30-17-22
(29)28(20-12-5-3-6-13-20)21-14-7-4-8-15-21/h3-16H,17H2,1-2H3

 
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