CHEBI:120056 - 2-(1-iminoethyl)-4-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-3-oxobutanenitrile

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ChEBI Name 2-(1-iminoethyl)-4-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-3-oxobutanenitrile
ChEBI ID CHEBI:120056
Stars This entity has been manually annotated by a third party.
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Formula C15H15N5OS2
Net Charge 0
Average Mass 345.445
Monoisotopic Mass 345.07180
InChI InChI=1S/C15H15N5OS2/c1-9-4-3-5-11(6-9)18-14-19-20-15(23-14)22-8-13(21)12(7-16)10(2)17/h3-6,12,17H,8H2,1-2H3,(H,18,19)
InChIKey JTHSAOIOQHKUAK-UHFFFAOYSA-N
SMILES CC1=CC(=CC=C1)NC2=NN=C(S2)SCC(=O)C(C#N)C(=N)C
ChEBI Ontology
Outgoing 2-(1-iminoethyl)-4-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-3-oxobutanenitrile (CHEBI:120056) is a aryl sulfide (CHEBI:35683)
Manual Xref Database
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