N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2,4-dinitro-benzamide

Systemtic Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2,4-dinitro-benzamide Openeye Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-2,4-dinitro-benzamide CAS Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2,4-dinitrobenzamide IUPAC Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2,4-dinitrobenzamide Traditional Name: N-(5-isobutyl-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)CC1=NN=C(S1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=NN=C(S1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O5S/c1-7(2)5-11-15-16-13(24-11)14-12(19)9-4-3-8(17(20)21)6-10(9)18(22)23/h3-4,6-7H,5H2,1-2H3,(H,14,16,19)