3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C23H16N6OS MolecularWeight: 424.47774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCN3C(=O)C4=CC=CC=C4N=N3)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCN3C(=O)C4=CC=CC=C4N=N3)C5=CC=CC=C5

InChI

InChI=1S/C23H16N6OS/c30-22-18-13-7-8-14-19(18)25-28-29(22)15-31-23-24-20(16-9-3-1-4-10-16)21(26-27-23)17-11-5-2-6-12-17/h1-14H,15H2