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

Systemtic Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(4-nitrophenyl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(4-nitrobenzoyl)pyrrolidine-2-carboxamide CAS Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-[(4-nitrophenyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(4-nitrobenzoyl)pyrrolidine-2-carboxamide Traditional Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(4-nitrobenzoyl)pyrrolidine-2-carboxamide Formula: C20H16BrN5O4S MolecularWeight: 502.34114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrN5O4S/c21-14-7-3-12(4-8-14)18-23-24-20(31-18)22-17(27)16-2-1-11-25(16)19(28)13-5-9-15(10-6-13)26(29)30/h3-10,16H,1-2,11H2,(H,22,24,27)