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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC(=CC=C2)NC(=O)C)SCC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=NN=C(N1C2=CC(=CC=C2)NC(=O)C)SCC3=CC(=CC=C3)Br

InChI

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