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

Systemtic Name: N-[3-[5-[(3-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]ethanamide Openeye Name: N-[3-[5-[(3-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide CAS Name: N-[3-[5-[(3-bromophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide IUPAC Name: N-[3-[5-[(3-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide Traditional Name: N-[3-[5-[(3-bromobenzyl)thio]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide Formula: C18H17BrN4OS MolecularWeight: 417.32278

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C2=NN=C(N2C)SCC3=CC(=CC=C3)Br

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C2=NN=C(N2C)SCC3=CC(=CC=C3)Br

InChI

InChI=1S/C18H17BrN4OS/c1-12(24)20-16-8-4-6-14(10-16)17-21-22-18(23(17)2)25-11-13-5-3-7-15(19)9-13/h3-10H,11H2,1-2H3,(H,20,24)