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Summary

Name:1,3-dimethyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid
Formula:C8 H8 N2 O2 S
Formal charge:0
Molecular weight:196.226 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011,3-dimethyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid
OpenEye OEToolkits1.7.61,3-dimethylthieno[2,3-c]pyrazole-5-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c1sc2c(c1)c(nn2C)C
InChIInChI1.03InChI=1S/C8H8N2O2S/c1-4-5-3-6(8(11)12)13-7(5)10(2)9-4/h3H,1-2H3,(H,11,12)
InChIKeyInChI1.03QRANSYHQSVJLHX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370Cn1nc(C)c2cc(sc12)C(O)=O
SMILESCACTVS3.370Cn1nc(C)c2cc(sc12)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6Cc1c2cc(sc2n(n1)C)C(=O)O
SMILESOpenEye OEToolkits1.7.6Cc1c2cc(sc2n(n1)C)C(=O)O