2-[[5-[(4-bromanylphenoxy)methyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[5-[(4-bromanylphenoxy)methyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-benzyl-5-[(4-bromophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-[(4-bromophenoxy)methyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-benzyl-5-[(4-bromophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-benzyl-5-[(4-bromophenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H17BrN4O2S MolecularWeight: 433.32218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)N)COC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)N)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H17BrN4O2S/c19-14-6-8-15(9-7-14)25-11-17-21-22-18(26-12-16(20)24)23(17)10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H2,20,24)