N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,4-dinitro-benzamide

Systemtic Name: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,4-dinitro-benzamide Openeye Name: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,4-dinitro-benzamide CAS Name: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,4-dinitrobenzamide IUPAC Name: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,4-dinitrobenzamide Traditional Name: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,4-dinitro-benzamide Formula: C13H13N5O5S MolecularWeight: 351.33782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(S1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NN=C(S1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O5S/c1-13(2,3)11-15-16-12(24-11)14-10(19)8-5-4-7(17(20)21)6-9(8)18(22)23/h4-6H,1-3H3,(H,14,16,19)