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

Systemtic Name: 2-(4-bromophenyl)-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]ethanamide Openeye Name: 2-(4-bromophenyl)-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide CAS Name: 2-(4-bromophenyl)-N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]acetamide IUPAC Name: 2-(4-bromophenyl)-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide Traditional Name: 2-(4-bromophenyl)-N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]acetamide Formula: C18H13BrN4OS2 MolecularWeight: 445.35602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C#N)Br

Isomeric SMILES

C1=CC(=CC=C1CC(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C#N)Br

InChI

InChI=1S/C18H13BrN4OS2/c19-15-7-5-12(6-8-15)9-16(24)21-17-22-23-18(26-17)25-11-14-3-1-13(10-20)2-4-14/h1-8H,9,11H2,(H,21,22,24)