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Y0R

Summary
Name:5-[1-(4-methylphenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide
Formula:C13 H12 N4 O2 S2
Formal charge:0
Formula weight:320.39 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.7.65-[1-(4-methylphenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C13H12N4O2S2/c1-9-2-4-10(5-3-9)17-8-11(15-16-17)12-6-7-13(20-12)21(14,18)19/h2-8H,1H3,(H2,14,18,19)
InChIKeyInChI1.03SEKFZZJSHYKIBE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1ccc(cc1)n2cc(nn2)c3sc(cc3)[S](N)(=O)=O
SMILESCACTVS3.385Cc1ccc(cc1)n2cc(nn2)c3sc(cc3)[S](N)(=O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6Cc1ccc(cc1)n2cc(nn2)c3ccc(s3)S(=O)(=O)N
SMILESOpenEye OEToolkits1.7.6Cc1ccc(cc1)n2cc(nn2)c3ccc(s3)S(=O)(=O)N

225681

PDB entries from 2024-10-02

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