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A1AQF

Summary
Name:(3S)-1,1-dioxo-1lambda~6~-thiolane-3-carbonitrile
Formula:C5 H7 N O2 S
Formal charge:0
Formula weight:145.18 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(3S)-1,1-dioxo-1lambda~6~-thiolane-3-carbonitrile
OpenEye OEToolkits2.0.7(3~{S})-1,1-bis(oxidanylidene)thiolane-3-carbonitrile

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N#CC1CCS(=O)(=O)C1
InChIInChI1.06InChI=1S/C5H7NO2S/c6-3-5-1-2-9(7,8)4-5/h5H,1-2,4H2/t5-/m0/s1
InChIKeyInChI1.06CHNZCZASRHSRAC-YFKPBYRVSA-N
SMILES_CANONICALCACTVS3.385O=[S]1(=O)CC[C@H](C1)C#N
SMILESCACTVS3.385O=[S]1(=O)CC[CH](C1)C#N
SMILES_CANONICALOpenEye OEToolkits2.0.7C1CS(=O)(=O)C[C@@H]1C#N
SMILESOpenEye OEToolkits2.0.7C1CS(=O)(=O)CC1C#N

227344

数据于2024-11-13公开中

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