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TZ1

Summary
Name:N-{5-[(7-chloroquinolin-4-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}thiophene-2-carboxamide
Formula:C16 H9 Cl N4 O S3
Formal charge:0
Formula weight:404.917 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-{5-[(7-chloroquinolin-4-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}thiophene-2-carboxamide
OpenEye OEToolkits1.7.0N-[5-(7-chloroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc4ccc3c(Sc1nnc(s1)NC(=O)c2sccc2)ccnc3c4
SMILES_CANONICALCACTVS3.370Clc1ccc2c(Sc3sc(NC(=O)c4sccc4)nn3)ccnc2c1
SMILESCACTVS3.370Clc1ccc2c(Sc3sc(NC(=O)c4sccc4)nn3)ccnc2c1
SMILES_CANONICALOpenEye OEToolkits1.7.0c1cc(sc1)C(=O)Nc2nnc(s2)Sc3ccnc4c3ccc(c4)Cl
SMILESOpenEye OEToolkits1.7.0c1cc(sc1)C(=O)Nc2nnc(s2)Sc3ccnc4c3ccc(c4)Cl
InChIInChI1.03InChI=1S/C16H9ClN4OS3/c17-9-3-4-10-11(8-9)18-6-5-12(10)24-16-21-20-15(25-16)19-14(22)13-2-1-7-23-13/h1-8H,(H,19,20,22)
InChIKeyInChI1.03KWDHWMGDHBBJIA-UHFFFAOYSA-N

222415

PDB entries from 2024-07-10

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