CHEBI:105679 - 3-[[4-(methylamino)-3-nitrophenyl]methylidene]-1-benzothiopyran-4-one

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ChEBI Name 3-[[4-(methylamino)-3-nitrophenyl]methylidene]-1-benzothiopyran-4-one
ChEBI ID CHEBI:105679
Stars This entity has been manually annotated by a third party.
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Formula C17H14N2O3S
Net Charge 0
Average Mass 326.371
Monoisotopic Mass 326.07251
InChI InChI=1S/C17H14N2O3S/c1-18-14-7-6-11(9-15(14)19(21)22)8-12-10-23-16-5-3-2-4-13(16)17(12)20/h2-9,18H,10H2,1H3
InChIKey VELUJHIDYSOBEH-UHFFFAOYSA-N
SMILES CNC1=C(C=C(C=C1)C=C2CSC3=CC=CC=C3C2=O)[N+](=O)[O-]
ChEBI Ontology
Outgoing 3-[[4-(methylamino)-3-nitrophenyl]methylidene]-1-benzothiopyran-4-one (CHEBI:105679) is a thiochromane (CHEBI:50747)
Manual Xref Database
LSM-17042 LINCS
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