N8Z

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Summary

Name:5-(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)-4-ethyl-1,2,4-triazole-3-thiol
Formula:C9 H12 Cl N5 S
Formal charge:0
Molecular weight:257.743 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.75-(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)-4-ethyl-1,2,4-triazole-3-thiol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C9H12ClN5S/c1-4-15-8(11-12-9(15)16)7-6(10)5(2)14(3)13-7/h4H2,1-3H3,(H,12,16)
InChIKeyInChI1.03JETJARLUFXKWGL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCn1c(S)nnc1c2nn(C)c(C)c2Cl
SMILESCACTVS3.385CCn1c(S)nnc1c2nn(C)c(C)c2Cl
SMILES_CANONICALOpenEye OEToolkits2.0.7CCn1c(nnc1S)c2c(c(n(n2)C)C)Cl
SMILESOpenEye OEToolkits2.0.7CCn1c(nnc1S)c2c(c(n(n2)C)C)Cl
170172
PDB entries from 2020-10-21