6-(2-acetamidophenyl)-3-(phenylmethylsulfanyl)-1,2,4-triazin-5-olate

Systemtic Name: 6-(2-acetamidophenyl)-3-(phenylmethylsulfanyl)-1,2,4-triazin-5-olate Openeye Name: 6-(2-acetamidophenyl)-3-benzylsulfanyl-1,2,4-triazin-5-olate CAS Name: 6-(2-acetamidophenyl)-3-(phenylmethylthio)-1,2,4-triazin-5-olate IUPAC Name: 6-(2-acetamidophenyl)-3-benzylsulfanyl-1,2,4-triazin-5-olate Traditional Name: 6-(2-acetamidophenyl)-3-(benzylthio)-1,2,4-triazin-5-olate Formula: C18H15N4O2S- MolecularWeight: 351.4023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC=C1C2=C(N=C(N=N2)SCC3=CC=CC=C3)[O-]

Isomeric SMILES

CC(=O)NC1=CC=CC=C1C2=C(N=C(N=N2)SCC3=CC=CC=C3)[O-]

InChI

InChI=1S/C18H16N4O2S/c1-12(23)19-15-10-6-5-9-14(15)16-17(24)20-18(22-21-16)25-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,19,23)(H,20,22,24)/p-1