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

Systemtic Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(3-nitrophenyl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(3-nitrobenzoyl)pyrrolidine-2-carboxamide CAS Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-[(3-nitrophenyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(3-nitrobenzoyl)pyrrolidine-2-carboxamide Traditional Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(3-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(=CC=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(=CC=C2)[N+](=O)[O-])C(=O)NC3=NN=C(S3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H16BrN5O4S/c21-14-8-6-12(7-9-14)18-23-24-20(31-18)22-17(27)16-5-2-10-25(16)19(28)13-3-1-4-15(11-13)26(29)30/h1,3-4,6-9,11,16H,2,5,10H2,(H,22,24,27)