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CHEBI:115012 - N-[[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-5-methyl-3-phenyl-4-isoxazolecarboxamide

ChEBI IDCHEBI:115012
ChEBI NameN-[[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-5-methyl-3-phenyl-4-isoxazolecarboxamide
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DownloadsMolfile
FormulaC22H20N4O2S2
Net Charge0
Average Mass436.562
Monoisotopic Mass436.10277
SMILESCc1onc(-c2ccccc2)c1C(=O)NC(=S)Nc1sc2c(c1C#N)CCC(C)C2
InChIInChI=1S/C22H20N4O2S2/c1-12-8-9-15-16(11-23)21(30-17(15)10-12)25-22(29)24-20(27)18-13(2)28-26-19(18)14-6-4-3-5-7-14/h3-7,12H,8-10H2,1-2H3,(H2,24,25,27,29)
InChIKeyYHHQZLFZISHRPF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-5-methyl-3-phenyl-4-isoxazolecarboxamide (CHEBI:115012) is a benzenes (CHEBI:22712)
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