2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)ethanamide

Systemtic Name: 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)ethanamide Openeye Name: 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide IUPAC Name: 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide Traditional Name: N-(5-amyl-1,3,4-thiadiazol-2-yl)-2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetamide Formula: C17H17N5O5S MolecularWeight: 403.41238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN=C(S1)NC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCC1=NN=C(S1)NC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O5S/c1-2-3-4-8-13-19-20-17(28-13)18-12(23)9-21-15(24)10-6-5-7-11(22(26)27)14(10)16(21)25/h5-7H,2-4,8-9H2,1H3,(H,18,20,23)