3-[3-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-oxidanidyl-1,2,4-triazin-6-yl]propanoate

Systemtic Name: 3-[3-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-oxidanidyl-1,2,4-triazin-6-yl]propanoate Openeye Name: 3-[3-[2-(4-methoxyanilino)-2-oxo-ethyl]sulfanyl-5-oxido-1,2,4-triazin-6-yl]propanoate CAS Name: 3-[3-[[2-(4-methoxyanilino)-2-oxoethyl]thio]-5-oxido-1,2,4-triazin-6-yl]propanoate IUPAC Name: 3-[3-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-5-oxido-1,2,4-triazin-6-yl]propanoate Traditional Name: 3-[3-[[2-keto-2-(p-anisidino)ethyl]thio]-5-oxido-1,2,4-triazin-6-yl]propionate Formula: C15H14N4O5S-2 MolecularWeight: 362.36046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSC2=NC(=C(N=N2)CCC(=O)[O-])[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSC2=NC(=C(N=N2)CCC(=O)[O-])[O-]

InChI

InChI=1S/C15H16N4O5S/c1-24-10-4-2-9(3-5-10)16-12(20)8-25-15-17-14(23)11(18-19-15)6-7-13(21)22/h2-5H,6-8H2,1H3,(H,16,20)(H,21,22)(H,17,19,23)/p-2