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

Systemtic Name: 4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-propylsulfanyl-1,3-thiazol-5-one Openeye Name: 4-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-propylsulfanyl-thiazol-5-one CAS Name: 4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-(propylthio)-5-thiazolone IUPAC Name: 4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-propylsulfanyl-1,3-thiazol-5-one Traditional Name: 4-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-(propylthio)-2-thiazolin-5-one Formula: C14H12N2O5S2 MolecularWeight: 352.38548

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)S1

Isomeric SMILES

CCCSC1=NC(=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)S1

InChI

InChI=1S/C14H12N2O5S2/c1-2-3-22-14-15-9(13(17)23-14)4-8-5-11-12(21-7-20-11)6-10(8)16(18)19/h4-6H,2-3,7H2,1H3