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

Systemtic Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(4-chloranyl-3-nitro-phenyl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(4-chloro-3-nitro-benzoyl)pyrrolidine-2-carboxamide CAS Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-[(4-chloro-3-nitrophenyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(4-chloro-3-nitrobenzoyl)pyrrolidine-2-carboxamide Traditional Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(4-chloro-3-nitro-benzoyl)pyrrolidine-2-carboxamide Formula: C20H15BrClN5O4S MolecularWeight: 536.7862

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H15BrClN5O4S/c21-13-6-3-11(4-7-13)18-24-25-20(32-18)23-17(28)15-2-1-9-26(15)19(29)12-5-8-14(22)16(10-12)27(30)31/h3-8,10,15H,1-2,9H2,(H,23,25,28)