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

Systemtic Name: 2-[3-[(4-bromanylphenoxy)methyl]-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-naphthalen-1-yl-ethanamide Openeye Name: 2-[4-benzyl-3-[(4-bromophenoxy)methyl]-5-thioxo-1,2,4-triazol-1-yl]-N-(1-naphthyl)acetamide CAS Name: 2-[3-[(4-bromophenoxy)methyl]-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(1-naphthalenyl)acetamide IUPAC Name: 2-[4-benzyl-3-[(4-bromophenoxy)methyl]-5-sulfanylidene-1,2,4-triazol-1-yl]-N-naphthalen-1-ylacetamide Traditional Name: 2-[4-benzyl-3-[(4-bromophenoxy)methyl]-5-thioxo-1,2,4-triazol-1-yl]-N-(1-naphthyl)acetamide Formula: C28H23BrN4O2S MolecularWeight: 559.47682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN(C2=S)CC(=O)NC3=CC=CC4=CC=CC=C43)COC5=CC=C(C=C5)Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN(C2=S)CC(=O)NC3=CC=CC4=CC=CC=C43)COC5=CC=C(C=C5)Br

InChI

InChI=1S/C28H23BrN4O2S/c29-22-13-15-23(16-14-22)35-19-26-31-33(28(36)32(26)17-20-7-2-1-3-8-20)18-27(34)30-25-12-6-10-21-9-4-5-11-24(21)25/h1-16H,17-19H2,(H,30,34)