N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3,5-dinitro-benzamide

Systemtic Name: N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3,5-dinitro-benzamide Openeye Name: N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3,5-dinitro-benzamide CAS Name: N-[5-methoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3,5-dinitrobenzamide IUPAC Name: N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3,5-dinitrobenzamide Traditional Name: N-[5-methoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3,5-dinitro-benzamide Formula: C18H16N4O6S2 MolecularWeight: 448.47284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])N2CCSC

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])N2CCSC

InChI

InChI=1S/C18H16N4O6S2/c1-28-14-3-4-16-15(10-14)20(5-6-29-2)18(30-16)19-17(23)11-7-12(21(24)25)9-13(8-11)22(26)27/h3-4,7-10H,5-6H2,1-2H3