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

Systemtic Name: N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-1-(3-nitrophenyl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-1-(3-nitrobenzoyl)pyrrolidine-2-carboxamide CAS Name: N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-1-[(3-nitrophenyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-1-(3-nitrobenzoyl)pyrrolidine-2-carboxamide Traditional Name: N-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-1-(3-nitrobenzoyl)pyrrolidine-2-carboxamide Formula: C22H22N6O4S MolecularWeight: 466.51288

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3CCCN3C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3CCCN3C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N6O4S/c1-26(2)16-10-8-14(9-11-16)20-24-25-22(33-20)23-19(29)18-7-4-12-27(18)21(30)15-5-3-6-17(13-15)28(31)32/h3,5-6,8-11,13,18H,4,7,12H2,1-2H3,(H,23,25,29)