N-[4-[3-[(4-bromophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]phenyl]ethanamide

Systemtic Name: N-[4-[3-[(4-bromophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]phenyl]ethanamide Openeye Name: N-[4-[3-[(4-bromophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]phenyl]acetamide CAS Name: N-[4-[3-[(4-bromophenyl)methylthio]-1H-1,2,4-triazol-5-yl]phenyl]acetamide IUPAC Name: N-[4-[3-[(4-bromophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]phenyl]acetamide Traditional Name: N-[4-[3-[(4-bromobenzyl)thio]-1H-1,2,4-triazol-5-yl]phenyl]acetamide Formula: C17H15BrN4OS MolecularWeight: 403.2962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=C(C=C3)Br

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H15BrN4OS/c1-11(23)19-15-8-4-13(5-9-15)16-20-17(22-21-16)24-10-12-2-6-14(18)7-3-12/h2-9H,10H2,1H3,(H,19,23)(H,20,21,22)