N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide

Systemtic Name: N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide Openeye Name: N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide CAS Name: N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide IUPAC Name: N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide Traditional Name: N-(6-mesyl-3-methyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide Formula: C16H12N4O7S2 MolecularWeight: 436.41908

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O7S2/c1-18-13-4-3-12(29(2,26)27)8-14(13)28-16(18)17-15(21)9-5-10(19(22)23)7-11(6-9)20(24)25/h3-8H,1-2H3