2-[3-(phenoxymethyl)-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N,N-diphenyl-ethanamide

Systemtic Name: 2-[3-(phenoxymethyl)-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N,N-diphenyl-ethanamide Openeye Name: 2-[4-benzyl-3-(phenoxymethyl)-5-thioxo-1,2,4-triazol-1-yl]-N,N-diphenyl-acetamide CAS Name: 2-[3-(phenoxymethyl)-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N,N-diphenylacetamide IUPAC Name: 2-[4-benzyl-3-(phenoxymethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N,N-diphenylacetamide Traditional Name: 2-[4-benzyl-3-(phenoxymethyl)-5-thioxo-1,2,4-triazol-1-yl]-N,N-diphenyl-acetamide Formula: C30H26N4O2S MolecularWeight: 506.61804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN(C2=S)CC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)COC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN(C2=S)CC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)COC5=CC=CC=C5

InChI

InChI=1S/C30H26N4O2S/c35-29(34(25-15-7-2-8-16-25)26-17-9-3-10-18-26)22-33-30(37)32(21-24-13-5-1-6-14-24)28(31-33)23-36-27-19-11-4-12-20-27/h1-20H,21-23H2