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8SF

Summary
Name:1-phenyl-5-propan-2-ylsulfanyl-1,2,3,4-tetrazole
Formula:C10 H12 N4 S
Formal charge:0
Formula weight:220.294 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.61-phenyl-5-propan-2-ylsulfanyl-1,2,3,4-tetrazole

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C10H12N4S/c1-8(2)15-10-11-12-13-14(10)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyInChI1.03SRXNAOIEUJQDHS-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)Sc1nnnn1c2ccccc2
SMILESCACTVS3.385CC(C)Sc1nnnn1c2ccccc2
SMILES_CANONICALOpenEye OEToolkits2.0.6CC(C)Sc1nnnn1c2ccccc2
SMILESOpenEye OEToolkits2.0.6CC(C)Sc1nnnn1c2ccccc2

222415

PDB entries from 2024-07-10

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