C9H

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Summary

Name:5-(pentylsulfanyl)-1H-1,2,4-triazole
Formula:C7 H13 N3 S
Formal charge:0
Molecular weight:171.263 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-(pentylsulfanyl)-1H-1,2,4-triazole
OpenEye OEToolkits1.7.65-pentylsulfanyl-1H-1,2,4-triazole

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C7H13N3S/c1-2-3-4-5-11-7-8-6-9-10-7/h6H,2-5H2,1H3,(H,8,9,10)
InChIKeyInChI1.03YDSWCAZMHZEBFW-UHFFFAOYSA-N
SMILESACDLabs12.01S(c1ncnn1)CCCCC
SMILES_CANONICALCACTVS3.370CCCCCSc1[nH]ncn1
SMILESCACTVS3.370CCCCCSc1[nH]ncn1
SMILES_CANONICALOpenEye OEToolkits1.7.6CCCCCSc1[nH]ncn1
SMILESOpenEye OEToolkits1.7.6CCCCCSc1[nH]ncn1