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

Systemtic Name: 1-(3-bromophenyl)carbonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide Openeye Name: 1-(3-bromobenzoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide CAS Name: 1-[(3-bromophenyl)-oxomethyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-pyrrolidinecarboxamide IUPAC Name: 1-(3-bromobenzoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide Traditional Name: 1-(3-bromobenzoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide Formula: C20H17BrN4O2S MolecularWeight: 457.34358

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC(=CC=C2)Br)C(=O)NC3=NN=C(S3)C4=CC=CC=C4

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC(=CC=C2)Br)C(=O)NC3=NN=C(S3)C4=CC=CC=C4

InChI

InChI=1S/C20H17BrN4O2S/c21-15-9-4-8-14(12-15)19(27)25-11-5-10-16(25)17(26)22-20-24-23-18(28-20)13-6-2-1-3-7-13/h1-4,6-9,12,16H,5,10-11H2,(H,22,24,26)