3,5-dinitro-N-[5-(5-oxidanylidene-1-phenyl-pyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 3,5-dinitro-N-[5-(5-oxidanylidene-1-phenyl-pyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 3,5-dinitro-N-[5-(5-oxo-1-phenyl-pyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 3,5-dinitro-N-[5-(5-oxo-1-phenyl-3-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3,5-dinitro-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: N-[5-(5-keto-1-phenyl-pyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]-3,5-dinitro-benzamide Formula: C19H14N6O6S MolecularWeight: 454.41606

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)C2=CC=CC=C2)C3=NN=C(S3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C(CN(C1=O)C2=CC=CC=C2)C3=NN=C(S3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H14N6O6S/c26-16-8-12(10-23(16)13-4-2-1-3-5-13)18-21-22-19(32-18)20-17(27)11-6-14(24(28)29)9-15(7-11)25(30)31/h1-7,9,12H,8,10H2,(H,20,22,27)