CHEBI:108481 - 1-[[2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-tetrazolyl]-1-oxoethyl]amino]-3-(4-chlorophenyl)thiourea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[[2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-tetrazolyl]-1-oxoethyl]amino]-3-(4-chlorophenyl)thiourea
ChEBI ID CHEBI:108481
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C18H12ClF6N7OS
Net Charge 0
Average Mass 523.844
Monoisotopic Mass 523.04168
InChI InChI=1S/C18H12ClF6N7OS/c19-12-1-3-13(4-2-12)26-16(34)29-27-14(33)8-32-30-15(28-31-32)9-5-10(17(20,21)22)7-11(6-9)18(23,24)25/h1-7H,8H2,(H,27,33)(H2,26,29,34)
InChIKey ZAONFWDEKAOADX-UHFFFAOYSA-N
SMILES C1=CC(=CC=C1NC(=S)NNC(=O)CN2N=C(N=N2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)Cl
ChEBI Ontology
Outgoing 1-[[2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-tetrazolyl]-1-oxoethyl]amino]-3-(4-chlorophenyl)thiourea (CHEBI:108481) is a tetrazoles (CHEBI:35689)
Manual Xref Database
LSM-19857 LINCS
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