4-[[6-(4-methoxyphenyl)-5-oxidanidyl-1,2,4-triazin-3-yl]sulfanylmethyl]benzoate

Systemtic Name: 4-[[6-(4-methoxyphenyl)-5-oxidanidyl-1,2,4-triazin-3-yl]sulfanylmethyl]benzoate Openeye Name: 4-[[6-(4-methoxyphenyl)-5-oxido-1,2,4-triazin-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[6-(4-methoxyphenyl)-5-oxido-1,2,4-triazin-3-yl]thio]methyl]benzoate IUPAC Name: 4-[[6-(4-methoxyphenyl)-5-oxido-1,2,4-triazin-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[6-(4-methoxyphenyl)-5-oxido-1,2,4-triazin-3-yl]thio]methyl]benzoate Formula: C18H13N3O4S-2 MolecularWeight: 367.37852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(N=C(N=N2)SCC3=CC=C(C=C3)C(=O)[O-])[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(N=C(N=N2)SCC3=CC=C(C=C3)C(=O)[O-])[O-]

InChI

InChI=1S/C18H15N3O4S/c1-25-14-8-6-12(7-9-14)15-16(22)19-18(21-20-15)26-10-11-2-4-13(5-3-11)17(23)24/h2-9H,10H2,1H3,(H,23,24)(H,19,21,22)/p-2