N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-(phenylcarbonyl)benzamide

Systemtic Name: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-(phenylcarbonyl)benzamide Openeye Name: 4-benzoyl-N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-benzoyl-N-[5-[(4-bromophenyl)methylthio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-benzoyl-N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-benzoyl-N-[5-[(4-bromobenzyl)thio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C23H16BrN3O2S2 MolecularWeight: 510.42604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)Br

InChI

InChI=1S/C23H16BrN3O2S2/c24-19-12-6-15(7-13-19)14-30-23-27-26-22(31-23)25-21(29)18-10-8-17(9-11-18)20(28)16-4-2-1-3-5-16/h1-13H,14H2,(H,25,26,29)