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Q95

Summary
Name:[2-(2-methylphenyl)sulfanylphenyl]methanamine
Formula:C14 H15 N S
Formal charge:0
Formula weight:229.341 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7[2-(2-methylphenyl)sulfanylphenyl]methanamine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C14H15NS/c1-11-6-2-4-8-13(11)16-14-9-5-3-7-12(14)10-15/h2-9H,10,15H2,1H3
InChIKeyInChI1.03CGBSXMIZWLICSP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1ccccc1Sc2ccccc2CN
SMILESCACTVS3.385Cc1ccccc1Sc2ccccc2CN
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1ccccc1Sc2ccccc2CN
SMILESOpenEye OEToolkits2.0.7Cc1ccccc1Sc2ccccc2CN

222415

PDB entries from 2024-07-10

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