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CHEBI:121764 - N-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-5-methyl-3-phenyl-4-isoxazolecarboxamide

ChEBI IDCHEBI:121764
ChEBI NameN-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-5-methyl-3-phenyl-4-isoxazolecarboxamide
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FormulaC21H18N4O2S2
Net Charge0
Average Mass422.535
Monoisotopic Mass422.08712
SMILESCc1onc(-c2ccccc2)c1C(=O)NC(=S)Nc1sc2c(c1C#N)CCCC2
InChIInChI=1S/C21H18N4O2S2/c1-12-17(18(25-27-12)13-7-3-2-4-8-13)19(26)23-21(28)24-20-15(11-22)14-9-5-6-10-16(14)29-20/h2-4,7-8H,5-6,9-10H2,1H3,(H2,23,24,26,28)
InChIKeyLTRHHYCDHDAFSE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-5-methyl-3-phenyl-4-isoxazolecarboxamide (CHEBI:121764) is a benzenes (CHEBI:22712)
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LSM-33207LINCS