C7C

5-[(4-chlorophenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylate

Created:2008-10-10
Last modified:  2011-06-04

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Chemical Details

Formal Charge-1
Atom Count20
Chiral Atom Count0
Bond Count21
Aromatic Bond Count11
2D diagram of C7C

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Chemical Component Summary

Name5-[(4-chlorophenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylate
Systematic Name (OpenEye OEToolkits)5-(4-chlorophenyl)sulfanyl-1,2,3-thiadiazole-4-carboxylate
FormulaC9 H4 Cl N2 O2 S2
Molecular Weight271.723
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C([O-])c2nnsc2Sc1ccc(Cl)cc1
SMILESCACTVS3.341[O-]C(=O)c1nnsc1Sc2ccc(Cl)cc2
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1Sc2c(nns2)C(=O)[O-])Cl
Canonical SMILESCACTVS3.341 [O-]C(=O)c1nnsc1Sc2ccc(Cl)cc2
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc(ccc1Sc2c(nns2)C(=O)[O-])Cl
InChIInChI1.03 InChI=1S/C9H5ClN2O2S2/c10-5-1-3-6(4-2-5)15-9-7(8(13)14)11-12-16-9/h1-4H,(H,13,14)/p-1
InChIKeyInChI1.03 NDYKFFAREALEPX-UHFFFAOYSA-M

Related Resource References

Resource NameReference
PubChem 40475654