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

Systemtic Name: 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide Openeye Name: 3-(4-nitro-1,3-dioxo-isoindolin-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide CAS Name: 3-(4-nitro-1,3-dioxo-2-isoindolyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide IUPAC Name: 3-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propionamide Formula: C16H15N5O5S MolecularWeight: 389.3858

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(S1)NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NN=C(S1)NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N5O5S/c1-2-4-12-18-19-16(27-12)17-11(22)7-8-20-14(23)9-5-3-6-10(21(25)26)13(9)15(20)24/h3,5-6H,2,4,7-8H2,1H3,(H,17,19,22)