CHEBI:105355 - 3-(4-chlorophenyl)-4-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylideneamino]-1H-1,2,4-triazole-5-thione

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ChEBI Name 3-(4-chlorophenyl)-4-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylideneamino]-1H-1,2,4-triazole-5-thione
ChEBI ID CHEBI:105355
Stars This entity has been manually annotated by a third party.
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Formula C20H17ClN6S
Net Charge 0
Average Mass 408.909
Monoisotopic Mass 408.09239
InChI InChI=1S/C20H17ClN6S/c1-13-18(14(2)26(25-13)17-6-4-3-5-7-17)12-22-27-19(23-24-20(27)28)15-8-10-16(21)11-9-15/h3-12H,1-2H3,(H,24,28)
InChIKey LWSYTJWXSMGIKM-UHFFFAOYSA-N
SMILES CC1=C(C(=NN1C2=CC=CC=C2)C)C=NN3C(=NNC3=S)C4=CC=C(C=C4)Cl
ChEBI Ontology
Outgoing 3-(4-chlorophenyl)-4-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylideneamino]-1H-1,2,4-triazole-5-thione (CHEBI:105355) is a pyrazoles (CHEBI:26410)
3-(4-chlorophenyl)-4-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylideneamino]-1H-1,2,4-triazole-5-thione (CHEBI:105355) is a ring assembly (CHEBI:36820)
Manual Xref Database
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