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NR9

Summary
Name:(5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one
Formula:C18 H13 N3 O S2
Formal charge:0
Formula weight:351.445 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one
OpenEye OEToolkits1.7.0(5Z)-5-(quinolin-6-ylmethylidene)-2-(thiophen-2-ylmethylamino)-1,3-thiazol-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1N=C(S/C1=C\c3cc2cccnc2cc3)NCc4sccc4
SMILES_CANONICALCACTVS3.370O=C\1N=C(NCc2sccc2)SC\1=C\c3ccc4ncccc4c3
SMILESCACTVS3.370O=C1N=C(NCc2sccc2)SC1=Cc3ccc4ncccc4c3
SMILES_CANONICALOpenEye OEToolkits1.7.0c1cc2cc(ccc2nc1)/C=C\3/C(=O)N=C(S3)NCc4cccs4
SMILESOpenEye OEToolkits1.7.0c1cc2cc(ccc2nc1)C=C3C(=O)N=C(S3)NCc4cccs4
InChIInChI1.03InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)/b16-10-
InChIKeyInChI1.03XOLMRFUGOINFDQ-YBEGLDIGSA-N

222036

건을2024-07-03부터공개중

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