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V02

Summary
Name:3-[(R)-2-azanylethylsulfanyl-(3-ethylphenyl)-phenyl-methyl]phenol
Formula:C23 H25 N O S
Formal charge:0
Formula weight:363.516 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-[(R)-[(2-aminoethyl)sulfanyl](3-ethylphenyl)phenylmethyl]phenol
OpenEye OEToolkits1.9.23-[(R)-2-azanylethylsulfanyl-(3-ethylphenyl)-phenyl-methyl]phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01S(C(c1cc(O)ccc1)(c2ccccc2)c3cccc(c3)CC)CCN
InChIInChI1.03InChI=1S/C23H25NOS/c1-2-18-8-6-11-20(16-18)23(26-15-14-24,19-9-4-3-5-10-19)21-12-7-13-22(25)17-21/h3-13,16-17,25H,2,14-15,24H2,1H3/t23-/m1/s1
InChIKeyInChI1.03LKEJFEOGGYEWTI-HSZRJFAPSA-N
SMILES_CANONICALCACTVS3.385CCc1cccc(c1)[C@](SCCN)(c2ccccc2)c3cccc(O)c3
SMILESCACTVS3.385CCc1cccc(c1)[C](SCCN)(c2ccccc2)c3cccc(O)c3
SMILES_CANONICALOpenEye OEToolkits1.9.2CCc1cccc(c1)[C@](c2ccccc2)(c3cccc(c3)O)SCCN
SMILESOpenEye OEToolkits1.9.2CCc1cccc(c1)C(c2ccccc2)(c3cccc(c3)O)SCCN

224572

數據於2024-09-04公開中

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