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

Systemtic Name: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-(phenylmethyl)benzamide Openeye Name: 4-benzyl-N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: N-[5-[(4-bromophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-(phenylmethyl)benzamide IUPAC Name: 4-benzyl-N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-benzyl-N-[5-[(4-bromobenzyl)thio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C23H18BrN3OS2 MolecularWeight: 496.44252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=C(C=C2)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=C(C=C2)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)Br

InChI

InChI=1S/C23H18BrN3OS2/c24-20-12-8-18(9-13-20)15-29-23-27-26-22(30-23)25-21(28)19-10-6-17(7-11-19)14-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,25,26,28)