CHEBI:108392 - 2-[(2,5-dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]acetonitrile

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ChEBI Name 2-[(2,5-dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]acetonitrile
ChEBI ID CHEBI:108392
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C16H14N4S
Net Charge 0
Average Mass 294.376
Monoisotopic Mass 294.09392
InChI InChI=1S/C16H14N4S/c1-11-10-14(21-9-8-17)20-16(18-11)15(12(2)19-20)13-6-4-3-5-7-13/h3-7,10H,9H2,1-2H3
InChIKey IKRWSIONZWYJSC-UHFFFAOYSA-N
SMILES CC1=NC2=C(C(=NN2C(=C1)SCC#N)C)C3=CC=CC=C3
ChEBI Ontology
Outgoing 2-[(2,5-dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]acetonitrile (CHEBI:108392) is a pyrazoles (CHEBI:26410)
2-[(2,5-dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]acetonitrile (CHEBI:108392) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-19768 LINCS
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