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

Systemtic Name: N-[1-[5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzamide Openeye Name: N-[1-[5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzamide CAS Name: N-[1-[5-[(4-bromophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzamide IUPAC Name: N-[1-[5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzamide Traditional Name: N-[1-[5-[(4-bromobenzyl)thio]-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzamide Formula: C20H21BrN4OS MolecularWeight: 445.37594

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)C(C)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)C(C)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21BrN4OS/c1-3-25-18(14(2)22-19(26)16-7-5-4-6-8-16)23-24-20(25)27-13-15-9-11-17(21)12-10-15/h4-12,14H,3,13H2,1-2H3,(H,22,26)