1ZW

N-[(4-cyanophenyl)methyl]methanethioamide

Created: 2014-02-28
Last modified:  2014-09-05

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Chemical Details

Formal Charge0
Atom Count20
Chiral Atom Count0
Bond Count20
Aromatic Bond Count6
2D diagram of 1ZW

Chemical Component Summary

NameN-[(4-cyanophenyl)methyl]methanethioamide
Systematic Name (OpenEye OEToolkits)N-[(4-cyanophenyl)methyl]methanethioamide
FormulaC9 H8 N2 S
Molecular Weight176.238
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01N#Cc1ccc(cc1)CNC=S
SMILESCACTVS3.385S=CNCc1ccc(cc1)C#N
SMILESOpenEye OEToolkits1.9.2c1cc(ccc1CNC=S)C#N
Canonical SMILESCACTVS3.385 S=CNCc1ccc(cc1)C#N
Canonical SMILESOpenEye OEToolkits1.9.2 c1cc(ccc1CNC=S)C#N
InChIInChI1.03 InChI=1S/C9H8N2S/c10-5-8-1-3-9(4-2-8)6-11-7-12/h1-4,7H,6H2,(H,11,12)
InChIKeyInChI1.03 YVOLFTYAZWTPDD-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 53991228