N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide

Systemtic Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide Openeye Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide CAS Name: N-[6-(methylthio)-1,3-benzothiazol-2-yl]-3,5-dinitrobenzamide IUPAC Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide Traditional Name: N-[6-(methylthio)-1,3-benzothiazol-2-yl]-3,5-dinitro-benzamide Formula: C15H10N4O5S2 MolecularWeight: 390.3937

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H10N4O5S2/c1-25-11-2-3-12-13(7-11)26-15(16-12)17-14(20)8-4-9(18(21)22)6-10(5-8)19(23)24/h2-7H,1H3,(H,16,17,20)