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

Systemtic Name: N-(5-hexyl-1,3,4-thiadiazol-2-yl)-2,4-dinitro-benzamide Openeye Name: N-(5-hexyl-1,3,4-thiadiazol-2-yl)-2,4-dinitro-benzamide CAS Name: N-(5-hexyl-1,3,4-thiadiazol-2-yl)-2,4-dinitrobenzamide IUPAC Name: N-(5-hexyl-1,3,4-thiadiazol-2-yl)-2,4-dinitrobenzamide Traditional Name: N-(5-hexyl-1,3,4-thiadiazol-2-yl)-2,4-dinitro-benzamide Formula: C15H17N5O5S MolecularWeight: 379.39098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NN=C(S1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCC1=NN=C(S1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O5S/c1-2-3-4-5-6-13-17-18-15(26-13)16-14(21)11-8-7-10(19(22)23)9-12(11)20(24)25/h7-9H,2-6H2,1H3,(H,16,18,21)