CHEBI:111412 - 5-methyl-5-pentyl-2-phenyl-1,2,4-triazolidine-3-thione

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5-methyl-5-pentyl-2-phenyl-1,2,4-triazolidine-3-thione
ChEBI ID CHEBI:111412
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C14H21N3S
Net Charge 0
Average Mass 263.403
Monoisotopic Mass 263.14562
InChI InChI=1S/C14H21N3S/c1-3-4-8-11-14(2)15-13(18)17(16-14)12-9-6-5-7-10-12/h5-7,9-10,16H,3-4,8,11H2,1-2H3,(H,15,18)
InChIKey PNZKZFFPLXJZJA-UHFFFAOYSA-N
SMILES CCCCCC1(NC(=S)N(N1)C2=CC=CC=C2)C
ChEBI Ontology
Outgoing 5-methyl-5-pentyl-2-phenyl-1,2,4-triazolidine-3-thione (CHEBI:111412) is a benzenes (CHEBI:22712)
Manual Xref Database
LSM-22868 LINCS
View more database links