(4Z)-2-methylsulfanyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazol-5-one

Systemtic Name: (4Z)-2-methylsulfanyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazol-5-one Openeye Name: (4Z)-2-methylsulfanyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylene]thiazol-5-one CAS Name: (4Z)-2-(methylthio)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-5-thiazolone IUPAC Name: (4Z)-2-methylsulfanyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazol-5-one Traditional Name: (4Z)-2-(methylthio)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-thiazolin-5-one Formula: C12H8N2O5S2 MolecularWeight: 324.33232

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)S1

Isomeric SMILES

CSC1=N/C(=C\C2=CC3=C(C=C2[N+](=O)[O-])OCO3)/C(=O)S1

InChI

InChI=1S/C12H8N2O5S2/c1-20-12-13-7(11(15)21-12)2-6-3-9-10(19-5-18-9)4-8(6)14(16)17/h2-4H,5H2,1H3/b7-2-