ZQC

4-methylsulfanyl-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

Created:2017-01-28
Last modified:  2017-10-25

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Chemical Details

Formal Charge0
Atom Count35
Chiral Atom Count0
Bond Count37
Aromatic Bond Count17
2D diagram of ZQC

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Chemical Component Summary

Name4-methylsulfanyl-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
Systematic Name (OpenEye OEToolkits)4-methylsulfanyl-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
FormulaC16 H13 N3 O S2
Molecular Weight327.424
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CSc1ccc(cc1)C(=O)Nc2scc(n2)c3ccccn3
SMILESOpenEye OEToolkits2.0.6CSc1ccc(cc1)C(=O)Nc2nc(cs2)c3ccccn3
Canonical SMILESCACTVS3.385 CSc1ccc(cc1)C(=O)Nc2scc(n2)c3ccccn3
Canonical SMILESOpenEye OEToolkits2.0.6 CSc1ccc(cc1)C(=O)Nc2nc(cs2)c3ccccn3
InChIInChI1.03 InChI=1S/C16H13N3OS2/c1-21-12-7-5-11(6-8-12)15(20)19-16-18-14(10-22-16)13-4-2-3-9-17-13/h2-10H,1H3,(H,18,19,20)
InChIKeyInChI1.03 NZGXQIAKLVEMPP-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 22581408
ChEMBL CHEMBL2098466