N-(4-bromanyl-3-methyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide

Systemtic Name: N-(4-bromanyl-3-methyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide Openeye Name: N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide CAS Name: N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide IUPAC Name: N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide Traditional Name: N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide Formula: C15H9BrN4O5S MolecularWeight: 437.22476

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC=C2Br)SC1=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C=CC=C2Br)SC1=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H9BrN4O5S/c1-18-13-11(16)3-2-4-12(13)26-15(18)17-14(21)8-5-9(19(22)23)7-10(6-8)20(24)25/h2-7H,1H3