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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N5O5S/c1-6(2)11-14-15-12(23-11)13-10(18)7-3-8(16(19)20)5-9(4-7)17(21)22/h3-6H,1-2H3,(H,13,15,18)