5CH

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Summary

Name:5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine
Formula:C18 H15 Cl N2 O2 S
Formal charge:0
Molecular weight:358.842 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.045-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine
OpenEye OEToolkits1.5.05-chloro-2-(6-methylpyridin-3-yl)-3-(4-methylsulfonylphenyl)pyridine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(c3ccc(c2cc(Cl)cnc2c1cnc(cc1)C)cc3)C
SMILES_CANONICALCACTVS3.341Cc1ccc(cn1)c2ncc(Cl)cc2c3ccc(cc3)[S](C)(=O)=O
SMILESCACTVS3.341Cc1ccc(cn1)c2ncc(Cl)cc2c3ccc(cc3)[S](C)(=O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0Cc1ccc(cn1)c2c(cc(cn2)Cl)c3ccc(cc3)S(=O)(=O)C
SMILESOpenEye OEToolkits1.5.0Cc1ccc(cn1)c2c(cc(cn2)Cl)c3ccc(cc3)S(=O)(=O)C
InChIInChI1.03InChI=1S/C18H15ClN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3
InChIKeyInChI1.03MNJVRJDLRVPLFE-UHFFFAOYSA-N
169117
PDB entries from 2020-09-23