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

Systemtic Name: 2,4-dinitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 2,4-dinitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 2,4-dinitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide IUPAC Name: 2,4-dinitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 2,4-dinitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide Formula: C12H11N5O5S MolecularWeight: 337.31124

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(S1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCC1=NN=C(S1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H11N5O5S/c1-2-3-10-14-15-12(23-10)13-11(18)8-5-4-7(16(19)20)6-9(8)17(21)22/h4-6H,2-3H2,1H3,(H,13,15,18)