6-[[2-[(5-bromanylthiophen-2-yl)methylsulfanyl]ethylamino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[2-[(5-bromanylthiophen-2-yl)methylsulfanyl]ethylamino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[2-[(5-bromo-2-thienyl)methylsulfanyl]ethylamino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[2-[(5-bromo-2-thiophenyl)methylthio]ethylamino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethylamino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[2-[(5-bromo-2-thienyl)methylthio]ethylamino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C14H13BrN2O3S2 MolecularWeight: 401.29862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=CNCCSCC2=CC=C(S2)Br)C=C1[N+](=O)[O-]

Isomeric SMILES

C1=CC(=O)C(=CNCCSCC2=CC=C(S2)Br)C=C1[N+](=O)[O-]

InChI

InChI=1S/C14H13BrN2O3S2/c15-14-4-2-12(22-14)9-21-6-5-16-8-10-7-11(17(19)20)1-3-13(10)18/h1-4,7-8,16H,5-6,9H2