2-(3-nitrophenyl)-1,3-bis(oxidanylidene)-N-(5-propyl-1,3,4-thiadiazol-2-yl)isoindole-5-carboxamide

Systemtic Name: 2-(3-nitrophenyl)-1,3-bis(oxidanylidene)-N-(5-propyl-1,3,4-thiadiazol-2-yl)isoindole-5-carboxamide Openeye Name: 2-(3-nitrophenyl)-1,3-dioxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)isoindoline-5-carboxamide CAS Name: 2-(3-nitrophenyl)-1,3-dioxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-5-isoindolecarboxamide IUPAC Name: 2-(3-nitrophenyl)-1,3-dioxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)isoindole-5-carboxamide Traditional Name: 1,3-diketo-2-(3-nitrophenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)isoindoline-5-carboxamide Formula: C20H15N5O5S MolecularWeight: 437.4286

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N5O5S/c1-2-4-16-22-23-20(31-16)21-17(26)11-7-8-14-15(9-11)19(28)24(18(14)27)12-5-3-6-13(10-12)25(29)30/h3,5-10H,2,4H2,1H3,(H,21,23,26)