C9H

5-(pentylsulfanyl)-1H-1,2,4-triazole

Created:2012-07-02
Last modified:  2012-11-23

Find related ligands:

Chemical Details

Formal Charge0
Atom Count24
Chiral Atom Count0
Bond Count24
Aromatic Bond Count5
2D diagram of C9H

WebGL does not seem to be available.

This can be caused by an outdated browser, graphics card driver issue, or bad weather. Sometimes, just restarting the browser helps. Also, make sure hardware acceleration is enabled in your browser.

For a list of supported browsers, refer to http://caniuse.com/#feat=webgl.

Chemical Component Summary

Name5-(pentylsulfanyl)-1H-1,2,4-triazole
Systematic Name (OpenEye OEToolkits)5-pentylsulfanyl-1H-1,2,4-triazole
FormulaC7 H13 N3 S
Molecular Weight171.263
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01S(c1ncnn1)CCCCC
SMILESCACTVS3.370CCCCCSc1[nH]ncn1
SMILESOpenEye OEToolkits1.7.6CCCCCSc1[nH]ncn1
Canonical SMILESCACTVS3.370 CCCCCSc1[nH]ncn1
Canonical SMILESOpenEye OEToolkits1.7.6 CCCCCSc1[nH]ncn1
InChIInChI1.03 InChI=1S/C7H13N3S/c1-2-3-4-5-11-7-8-6-9-10-7/h6H,2-5H2,1H3,(H,8,9,10)
InChIKeyInChI1.03 YDSWCAZMHZEBFW-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 2737118