CHEBI:109080 - 2-(1,3-benzothiazol-2-yl)-3-methyl-2-butenenitrile

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-(1,3-benzothiazol-2-yl)-3-methyl-2-butenenitrile
ChEBI ID CHEBI:109080
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C12H10N2S
Net Charge 0
Average Mass 214.288
Monoisotopic Mass 214.05647
InChI InChI=1S/C12H10N2S/c1-8(2)9(7-13)12-14-10-5-3-4-6-11(10)15-12/h3-6H,1-2H3
InChIKey LFRAFAQWIPZCRG-UHFFFAOYSA-N
SMILES CC(=C(C#N)C1=NC2=CC=CC=C2S1)C
ChEBI Ontology
Outgoing 2-(1,3-benzothiazol-2-yl)-3-methyl-2-butenenitrile (CHEBI:109080) is a benzothiazoles (CHEBI:37947)
Manual Xref Database
LSM-20478 LINCS
View more database links