CHEBI:107984 - 3-(3-nitrophenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-(3-nitrophenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione
ChEBI ID CHEBI:107984
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C15H12N4O2S
Net Charge 0
Average Mass 312.348
Monoisotopic Mass 312.06810
InChI InChI=1S/C15H12N4O2S/c20-19(21)13-8-4-7-12(9-13)14-16-17-15(22)18(14)10-11-5-2-1-3-6-11/h1-9H,10H2,(H,17,22)
InChIKey AQJIGPKXAIINEO-UHFFFAOYSA-N
SMILES C1=CC=C(C=C1)CN2C(=NNC2=S)C3=CC(=CC=C3)[N+](=O)[O-]
ChEBI Ontology
Outgoing 3-(3-nitrophenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione (CHEBI:107984) is a triazoles (CHEBI:35727)
Manual Xref Database
LSM-19361 LINCS
View more database links