3-[(3-phenoxyphenyl)methylsulfanyl]-6-(phenylmethyl)-2H-1,2,4-triazin-5-one

Systemtic Name: 3-[(3-phenoxyphenyl)methylsulfanyl]-6-(phenylmethyl)-2H-1,2,4-triazin-5-one Openeye Name: 6-benzyl-3-[(3-phenoxyphenyl)methylsulfanyl]-2H-1,2,4-triazin-5-one CAS Name: 3-[(3-phenoxyphenyl)methylthio]-6-(phenylmethyl)-2H-1,2,4-triazin-5-one IUPAC Name: 6-benzyl-3-[(3-phenoxyphenyl)methylsulfanyl]-2H-1,2,4-triazin-5-one Traditional Name: 6-benzyl-3-[(3-phenoxybenzyl)thio]-2H-1,2,4-triazin-5-one Formula: C23H19N3O2S MolecularWeight: 401.48086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NNC(=NC2=O)SCC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC2=NNC(=NC2=O)SCC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C23H19N3O2S/c27-22-21(15-17-8-3-1-4-9-17)25-26-23(24-22)29-16-18-10-7-13-20(14-18)28-19-11-5-2-6-12-19/h1-14H,15-16H2,(H,24,26,27)