1-(3-nitrophenyl)carbonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide

Systemtic Name: 1-(3-nitrophenyl)carbonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide Openeye Name: 1-(3-nitrobenzoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide CAS Name: 1-[(3-nitrophenyl)-oxomethyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-pyrrolidinecarboxamide IUPAC Name: 1-(3-nitrobenzoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide Traditional Name: 1-(3-nitrobenzoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide Formula: C20H17N5O4S MolecularWeight: 423.44508

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NC3=NN=C(S3)C4=CC=CC=C4

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NC3=NN=C(S3)C4=CC=CC=C4

InChI

InChI=1S/C20H17N5O4S/c26-17(21-20-23-22-18(30-20)13-6-2-1-3-7-13)16-10-5-11-24(16)19(27)14-8-4-9-15(12-14)25(28)29/h1-4,6-9,12,16H,5,10-11H2,(H,21,23,26)