5-nitro-2-oxidanylidene-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1H-pyridine-3-carboxamide

Systemtic Name: 5-nitro-2-oxidanylidene-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1H-pyridine-3-carboxamide Openeye Name: 5-nitro-2-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1H-pyridine-3-carboxamide CAS Name: 5-nitro-2-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1H-pyridine-3-carboxamide IUPAC Name: 5-nitro-2-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1H-pyridine-3-carboxamide Traditional Name: N-(5-amyl-1,3,4-thiadiazol-2-yl)-2-keto-5-nitro-1H-pyridine-3-carboxamide Formula: C13H15N5O4S MolecularWeight: 337.3543

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN=C(S1)NC(=O)C2=CC(=CNC2=O)[N+](=O)[O-]

Isomeric SMILES

CCCCCC1=NN=C(S1)NC(=O)C2=CC(=CNC2=O)[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O4S/c1-2-3-4-5-10-16-17-13(23-10)15-12(20)9-6-8(18(21)22)7-14-11(9)19/h6-7H,2-5H2,1H3,(H,14,19)(H,15,17,20)