CHEBI:105974 - 3-(2-chlorophenyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-4-isoxazolecarboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-(2-chlorophenyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-4-isoxazolecarboxamide
ChEBI ID CHEBI:105974
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C19H14ClN3O2S
Net Charge 0
Average Mass 383.853
Monoisotopic Mass 383.04953
InChI InChI=1S/C19H14ClN3O2S/c1-10-16(17(23-25-10)12-5-2-3-7-14(12)20)18(24)22-19-13(9-21)11-6-4-8-15(11)26-19/h2-3,5,7H,4,6,8H2,1H3,(H,22,24)
InChIKey PPPHOQFSIXVYRL-UHFFFAOYSA-N
SMILES CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=C(C4=C(S3)CCC4)C#N
ChEBI Ontology
Outgoing 3-(2-chlorophenyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-4-isoxazolecarboxamide (CHEBI:105974) is a organochlorine compound (CHEBI:36683)
Manual Xref Database
LSM-17335 LINCS
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