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A1ELF

Summary
Name:N-[5-[(3-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]naphthalene-2-carboxamide
Formula:C20 H16 N4 O3 S2
Formal charge:0
Formula weight:424.496 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-[5-[(3-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]naphthalene-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C20H16N4O3S2/c1-13-5-4-8-17(11-13)24-29(26,27)20-23-22-19(28-20)21-18(25)16-10-9-14-6-2-3-7-15(14)12-16/h2-12,24H,1H3,(H,21,22,25)
InChIKeyInChI1.06SHYVRGLGJPAIBR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cccc(N[S](=O)(=O)c2sc(NC(=O)c3ccc4ccccc4c3)nn2)c1
SMILESCACTVS3.385Cc1cccc(N[S](=O)(=O)c2sc(NC(=O)c3ccc4ccccc4c3)nn2)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cccc(c1)NS(=O)(=O)c2nnc(s2)NC(=O)c3ccc4ccccc4c3
SMILESOpenEye OEToolkits2.0.7Cc1cccc(c1)NS(=O)(=O)c2nnc(s2)NC(=O)c3ccc4ccccc4c3

250359

PDB entries from 2026-03-11

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